SCHEMBL9301338

SCHEMBL9301338

CCc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.78
RAB9A P51151 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 2/20 0.48
CHRM1 P11229 2/20 0.48
HRH1 P35367 2/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9302834 0.88 PTAFR (1.00) PTAFRRAB9AMEN1KMT2AALDH1A1
SCHEMBL9304261 0.82 PTAFR (0.75) PTAFRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9302862 0.80 PTAFR (0.78) PTAFRRAB9ACYP2D6CHRM1HRH1
SCHEMBL9302509 0.78 PTAFR (0.83) PTAFRRAB9ACYP2D6CHRM1HRH1
SCHEMBL9302693 0.77 PTAFR (0.80) PTAFRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9303630 0.75 PTAFR (0.77) PTAFRRAB9AMEN1KMT2AALDH1A1
SCHEMBL9302507 0.75 PTAFR (0.77) PTAFRRAB9AMEN1KMT2AALDH1A1
SCHEMBL12188831 0.75 HTR2A (0.72) PTAFRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9303479 0.75 PTAFR (0.76) PTAFRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9302097 0.72 PTAFR (0.72) PTAFRRAB9AMEN1KMT2AALDH1A1

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