SCHEMBL9302594

SCHEMBL9302594

CN(C1CCCCC1)S(=O)(=O)c1ccc(CCSc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.55
PTAFR P25105 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
BCHE P06276 1/20 0.45
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL9302884 0.82 PTAFR (0.59) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9302149 0.81 AR (0.55) ARPTAFRALDH1A1MEN1KMT2A
SCHEMBL9302586 0.80 ALDH1A1 (0.49) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9301665 0.77 AR (0.53) ARALDH1A1MEN1KMT2ABCHE
SCHEMBL9302077 0.76 AR (0.55) ARPTAFRALDH1A1MEN1KMT2A
SCHEMBL13176112 0.71 HTR2A (0.73) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9303226 0.71 PTAFR (0.54) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL5503450 0.71 AR (0.63) ARALDH1A1KMT2ABCHEGRIN2A
SCHEMBL9595305 0.71 NPC1 (0.57) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL13995368 0.69 HTR2A (0.62) PTAFRALDH1A1MEN1KMT2AKDM4E

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