SCHEMBL9302843

SCHEMBL9302843

CC1(Cc2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc2)Nc2ccccc2N1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.62
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
TAS2R14 Q9NYV8 4/20 0.53
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
NR1H4 Q96RI1 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RORC P51449 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 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
SCHEMBL9302642 0.83 ALDH1A1 (0.54) MEN1KMT2APOLBHTR2C
SCHEMBL9303789 0.81 ESR1 (0.56) CNR2MEN1KMT2AGAAL3MBTL1
SCHEMBL9302598 0.79 NR1H3 (0.50) MEN1KMT2APOLBHTR2C
SCHEMBL9302028 0.77 CA12 (0.52) MEN1KMT2APOLBHTR2CTSHR
SCHEMBL9594878 0.76 CNR2 (0.72) CNR2MEN1KMT2APOLBTAS2R14
SCHEMBL9302737 0.75 CXCR4 (0.46) MEN1KMT2APOLBHTR2CTSHR
SCHEMBL9302302 0.75 CXCR4 (0.48) CNR2MEN1KMT2ATAS2R14TSHR
SCHEMBL6804193 0.73 CNR2 (0.85) CNR2MEN1KMT2APOLBTAS2R14
SCHEMBL6797972 0.73 CNR2 (0.79) CNR2MEN1KMT2APOLBTAS2R14
SCHEMBL9303870 0.73 CA2 (0.47) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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