SCHEMBL11208448

SCHEMBL11208448

Cc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)[O-])cc(O)c3c2)cc1[N+](=O)[O-].[Na+]

nearest known ligand 0.52

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
▸ MEN1 O00255 9/20 0.52
▸ KMT2A Q03164 9/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ MAPT P10636 11/20 0.51
▸ LMNA P02545 6/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL11215154 0.92 MAPT (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11428748 0.91 NT5E (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11437157 0.86 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11212331 0.85 SIRT1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11436275 0.84 CTDSP1 (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11431540 0.83 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11424230 0.81 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11426296 0.80 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11433700 0.80 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11432108 0.80 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013784-B1 C-SUBSTITUTED NAPHTHALENEMONOSULFONIC UREIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-02-23 — — EP disclosed
US-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 — — US disclosed
EP-0013784-A1 C-Substituted naphthalenemonosulfonic ureides, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-08-06 — — EP disclosed
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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