SCHEMBL9304262

SCHEMBL9304262

CC1(Cc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2)Nc2ccccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP19A1 P11511 1/20 0.52
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
AKT1 P31749 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
KEAP1 Q14145 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL9301975 0.89 CYP19A1 (0.54) CYP19A1POLBCA12CA9CYP1A2
SCHEMBL9302327 0.86 POLB (0.56) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL9303638 0.81 SMN1; SMN2 (0.52) ALDH1A1MAPK1CYP19A1LMNA
SCHEMBL9303510 0.78 ALOX15 (0.53) ALDH1A1CYP19A1MEN1KMT2ACYP1A2
SCHEMBL9302302 0.77 CXCR4 (0.48) ALDH1A1MEN1KMT2ALMNACNR1
SCHEMBL9302813 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL8789480 0.77 CYP19A1 (0.78) ALDH1A1MAPK1HSD17B10CYP19A1POLB
SCHEMBL4662845 0.77 KEAP1 (0.76) ALDH1A1MAPK1HSD17B10CYP19A1MEN1
SCHEMBL9303870 0.74 CA2 (0.47) CA12CA9CA1CA2KDM4E
SCHEMBL5960116 0.74 MEN1 (0.73) ALDH1A1MAPK1HSD17B10CYP19A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed