SCHEMBL9302425

SCHEMBL9302425

CC1(Cc2ccc(S(=O)(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc2)Nc2ccccc2N1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 4/20 0.58
NAMPT P43490 1/20 0.51
POLB P06746 3/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM1A O60341 3/20 0.47
MAOA P21397 2/20 0.47
TRIM24 O15164 1/20 0.47
TCF4 P15884 2/20 0.45
CTNNB1 P35222 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 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
SCHEMBL9303510 0.83 ALOX15 (0.53) NAMPTMEN1KMT2AALDH1A1MAPT
SCHEMBL9302374 0.82 CACNA1B (0.53) MEN1KMT2AALDH1A1MAPT
SCHEMBL9302410 0.77 LMNA (0.56) NAMPTPOLBMEN1KMT2AALDH1A1
SCHEMBL9302429 0.74 TP53 (0.45) NAMPTMEN1KMT2AALDH1A1MAPT
SCHEMBL9302421 0.69 ITGA1 (0.53) ITGA1NAMPTTRIM24ALDH1A1MAPT
SCHEMBL31681336 0.69 POLB (0.69) ITGA1POLBKDM1AMAOATCF4
SCHEMBL2941161 0.69 CA12 (0.69) ITGA1POLBTCF4CTNNB1MEN1
SCHEMBL11705518 0.69 CA1 (0.71) ITGA1POLBCA1CA2KMT2A
SCHEMBL894613 0.69 POLB (0.82) ITGA1POLBMEN1KMT2AALDH1A1
SCHEMBL9304262 0.68 ALDH1A1 (0.54) NAMPTPOLBCA1CA2MEN1

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