SCHEMBL9301975

SCHEMBL9301975

CC1(Cc2ccc(S(=O)(=O)NCc3cccc(Cl)c3)cc2)Nc2ccccc2N1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.54
TP53 P04637 1/20 0.49
GPR17 Q13304 1/20 0.48
NAMPT P43490 1/20 0.48
CNR1 P21554 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 1/20 0.44
TUBB P07437 1/20 0.43
CA12 O43570 1/20 0.43
ATM Q13315 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOS2 P35228 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9304262 0.89 ALDH1A1 (0.54) CYP19A1TP53NAMPTCNR1CYP1A2
SCHEMBL9303510 0.83 ALOX15 (0.53) CYP19A1TP53NAMPTCYP1A2CYP3A4
SCHEMBL9302327 0.82 POLB (0.56) TP53NAMPTPOLB
SCHEMBL9303638 0.81 SMN1; SMN2 (0.52) CYP19A1
SCHEMBL9303027 0.79 CXCR4 (0.45) TP53POLB
SCHEMBL4662812 0.78 CYP19A1 (0.71) CYP19A1TP53GPR17NAMPTCNR1
SCHEMBL5960081 0.77 CYP19A1 (0.80) CYP19A1TP53GPR17NAMPTCNR1
SCHEMBL9302813 0.76 ALDH1A1 (0.48)
SCHEMBL13973164 0.75 CYP19A1 (0.63) CYP19A1TP53GPR17NAMPTCYP1A2
SCHEMBL10904384 0.74 CYP19A1 (0.70) CYP19A1TP53GPR17NAMPTTUBB

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