SCHEMBL11554269

SCHEMBL11554269

O=S(=O)([O-])Cc1ccccn1.[Na+]

nearest known ligand 0.49

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 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
PRMT1 Q99873 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
HRH1 P35367 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42

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
SCHEMBL9600152 0.81 KMT2A (0.50) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL10875431 0.81 ALDH1A1 (0.55) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL5516006 0.79 KMT2A (0.49) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL29596510 0.78 HRH1 (0.50) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL1272069 0.78 KMT2A (0.47) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL1272072 0.78 LMNA (0.54) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL51377 0.78 HRH1 (0.50) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL1457801 0.78 L3MBTL1 (0.47) L3MBTL1KMT2APRMT1TDP1LMNA
SCHEMBL496697 0.78 TDP1 (0.54) L3MBTL1KMT2ATDP1LMNAHRH1
Potassium Ion SCHEMBL9065490 0.77 ALDH1A1 (0.55) L3MBTL1KMT2APRMT1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150232-A NICKEL ELECTROPLATING BATH BRIGHTENER ADDITIVES CILAG-CHEMIE A.G. (CH) 1979-04-17 US disclosed
US-4148797-A LEVELING AND BRIGHTENING AGENT FOR NICKEL ELECTROPLATING BATHS CILAG-CHEMIE A.G. (CH) 1979-04-10 US disclosed
US-4120859-A (N-Substituted-pyridyl)-alkyl sulfonic acid betaines as electroplating additives CILAG-CHEMIE A.G. (CH) 1978-10-17 US disclosed
US-4067785-A PYRIDYL ALKYL SULFONIC ACID BETAINES CILAG-CHEMIE A.G. (CH) 1978-01-10 US disclosed