SCHEMBL9302186

SCHEMBL9302186

CN(C(=O)c1ccc(Cc2nc3ccccc3[nH]2)c(F)c1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.46
ITK Q08881 1/20 0.46
PTAFR P25105 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL9301769 0.89 HPGD (0.46) HPGDPOLBITKPTAFRHSD17B10
SCHEMBL9301352 0.87 TSHR (0.48) HPGDPOLBITKPTAFRHSD17B10
SCHEMBL9302033 0.85 HPGD (0.60) HPGDPOLBITKPTAFRHSD17B10
SCHEMBL9303440 0.83 HPGD (0.51) HPGDPOLBITKPTAFRHSD17B10
SCHEMBL3456944 0.77 POLB (0.57) POLBITKPTAFRKMT2AMEN1
SCHEMBL9303110 0.76 PTAFR (0.52) HPGDPOLBITKPTAFRHSD17B10
SCHEMBL9303210 0.75 MAPT (0.59) HPGDPOLBHSD17B10KMT2AKDM4E
SCHEMBL9302316 0.74 PTAFR (0.51) HPGDPOLBITKPTAFRHSD17B10
SCHEMBL9303272 0.73 HPGD (0.58) HPGDPOLBHSD17B10ITGB3ITGAV
SCHEMBL18924427 0.73 KDM4E (0.56) HPGDPOLBITKPTAFRKMT2A

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