SCHEMBL9303870

SCHEMBL9303870

CC1(Cc2ccc(S(N)(=O)=O)cc2)Nc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.47
CA1 P00915 14/20 0.45
CA9 Q16790 10/20 0.45
CA12 O43570 8/20 0.45
CA14 Q9ULX7 5/20 0.45
CA4 P22748 8/20 0.44
CA7 P43166 8/20 0.44
CA5A P35218 5/20 0.44
CA5B Q9Y2D0 5/20 0.44
CA6 P23280 4/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CA3 P07451 1/20 0.41
PLA2G7 Q13093 1/20 0.41
CA13 Q8N1Q1 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
SCHEMBL9302028 0.77 CA12 (0.52) CA9CA12MAPTSMN1; SMN2
SCHEMBL9302642 0.76 ALDH1A1 (0.54) MAPTKDM4E
SCHEMBL9260114 0.75 TSHR (0.41) MAPTSMN1; SMN2KDM4E
SCHEMBL9302598 0.75 NR1H3 (0.50) MAPT
SCHEMBL9302515 0.74 ALDH1A1 (0.44) SMN1; SMN2KDM4E
SCHEMBL9303752 0.74 SMN1; SMN2 (0.54) SMN1; SMN2KDM4E
SCHEMBL9303789 0.74 ESR1 (0.56) MAPT
SCHEMBL9302813 0.74 ALDH1A1 (0.48) SMN1; SMN2KDM4E
SCHEMBL9302837 0.74 ALDH1A1 (0.59) MAPTSMN1; SMN2KDM4E
SCHEMBL9302302 0.74 CXCR4 (0.48) MAPT

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