SCHEMBL9302884

SCHEMBL9302884

CN(C1CCCCC1)S(=O)(=O)c1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.59
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.49
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL9303226 0.89 PTAFR (0.54) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9302594 0.82 AR (0.55) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9302802 0.79 LMNA (0.53) ALDH1A1KDM4EGAASMN1; SMN2PKM
SCHEMBL9302033 0.78 HPGD (0.60) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9302586 0.76 ALDH1A1 (0.49) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9671638 0.75 HSD17B10 (0.66) ALDH1A1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL9302834 0.74 PTAFR (1.00) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9303272 0.74 HPGD (0.58) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL12188831 0.73 HTR2A (0.72) PTAFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL9303440 0.73 HPGD (0.51) 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 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