SCHEMBL9821193

SCHEMBL9821193

O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccccc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.39
▸ MEN1 O00255 10/20 0.39
▸ MAPT P10636 7/20 0.39
▸ GAA P10253 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATM Q13315 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ XBP1 P17861 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29533009 0.86 MAPT (0.51) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL41561 0.85 MEN1 (0.48) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL41562 0.85 MEN1 (0.48) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL1461510 0.84 MEN1 (0.50) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL473260 0.84 MEN1 (0.47) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL1831128 0.83 MEN1 (0.47) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL31255141 0.83 MEN1 (0.48) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL30371753 0.79 KMT2A (0.53) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL9821198 0.78 MEN1 (0.42) KMT2AMEN1MAPTGAACYP1A2
SCHEMBL9821189 0.78 MEN1 (0.41) KMT2AMEN1MAPTGAACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 — — EP disclosed
EP-0156193-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING PROTOZOAL INFECTIONS WITH A NOVEL ANTIBIOTIC AMERICAN CYANAMID COMPANY (US) 1990-12-27 — — EP disclosed
EP-0195397-B1 M-CYANOPHENETHANOLAMINES AS ANIMAL GROWTH PROMOTERS AND ANTILIPOGENIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-12-13 — — EP disclosed
US-4863959-A Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1989-09-05 — — US disclosed
EP-0113397-B1 ANTHELMINTIC GEL COMPOSITIONS AND A METHOD FOR THEIR PREPARATION AT AMBIENT TEMPERATURES AMERICAN CYANAMID COMPANY (US) 1989-04-19 — — EP disclosed
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 — — EP disclosed
US-4650802-A ANTICOCCIDIAL, VETERINARY MEDICINE AMERICAN CYANAMID COMPANY (US) 1987-03-17 — — US disclosed
US-4649143-A ANTICOCCIDIAL AGENT AMERICAN CYANAMID COMPANY (US) 1987-03-10 — — US disclosed
US-4614746-A 5-fluorobenzonitrile derivatives for increasing the lean meat to fat ratio and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-30 — — US disclosed
EP-0195397-A1 m-Cyanophenethanolamines as animal growth promoters and antilipogenic agents AMERICAN CYANAMID COMPANY (US) 1986-09-24 — — EP disclosed
EP-0195396-A1 5-Fluorobenzonitrile derivatives and pharmacologically acceptable acid addition salts thereof for increasing the lean meat to fat ratio, and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-24 — — EP disclosed
EP-0156193-A2 Compounds and compositions for treating protozoal infections with a novel antibiotic AMERICAN CYANAMID COMPANY (US) 1985-10-02 — — EP disclosed
US-4543358-A Anthelmintic gel composition and a method for their preparation at ambient temperatures AMERICAN CYANAMID COMPANY (US) 1985-09-24 — — US disclosed
EP-0049731-B1 ANTHELMINTIC IMIDAZO(2,1-B)THIAZOLE GEL COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1984-12-05 — — EP disclosed
EP-0113397-A2 Anthelmintic gel compositions and a method for their preparation at ambient temperatures AMERICAN CYANAMID COMPANY (US) 1984-07-18 — — EP disclosed
EP-0049731-A2 Anthelmintic imidazo(2,1-b)thiazole gel compositions AMERICAN CYANAMID COMPANY (US) 1982-04-21 — — EP disclosed
US-4287176-A SUBZERO GELATION TEMPERATURE AMERICAN CYANAMID CO. (US) 1981-09-01 — — US disclosed
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