SCHEMBL8567343

SCHEMBL8567343

CCCCCC(C)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1.[H-].[Na+]

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
EDNRA known ✓ P25101 1/20 0.45
CA12 known ✓ O43570 1/20 0.42
CA2 known ✓ P00918 1/20 0.42
PPARG known ✓ P37231 1/20 0.42
GALR3 O60755 2/20 0.48
NR2F2 P24468 2/20 0.48
RAB9A P51151 1/20 0.48
TNF P01375 1/20 0.48
S1PR1 P21453 1/20 0.48
PTAFR P25105 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
AGTR1 P30556 2/20 0.46
AGTR2 P50052 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.42
RORC P51449 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL8560863 0.98 GALR3 (0.50) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL9298864 0.87 TNF (0.53) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL9502204 0.85 ALDH1A1 (0.60) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL8127579 0.82 HDAC1 (0.51) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL9302805 0.81 TNF (0.53) GALR3NR2F2RAB9ATNFPTAFR
SCHEMBL8122358 0.80 AGTR2 (0.51) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL8130341 0.79 HDAC1 (0.56) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL9299653 0.79 TNF (0.59) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL9298869 0.78 TNF (0.61) GALR3NR2F2RAB9ATNFS1PR1
SCHEMBL8129749 0.78 AGTR2 (0.56) PTAFRHDAC1HDAC6AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed