SCHEMBL9301769

SCHEMBL9301769

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ITK Q08881 3/20 0.46
POLB P06746 2/20 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
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
LMNA P02545 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
SCHEMBL9302186 0.89 HPGD (0.46) HPGDITKPOLBPTAFRHSD17B10
SCHEMBL9301352 0.87 TSHR (0.48) HPGDITKPOLBPTAFRHSD17B10
SCHEMBL9302033 0.85 HPGD (0.60) HPGDITKPOLBPTAFRHSD17B10
SCHEMBL9303440 0.83 HPGD (0.51) HPGDITKPOLBPTAFRHSD17B10
SCHEMBL3456944 0.77 POLB (0.57) ITKPOLBPTAFRRAB9ANPC1
SCHEMBL9303110 0.76 PTAFR (0.52) HPGDITKPOLBPTAFRHSD17B10
SCHEMBL9304019 0.75 MAPT (0.59) HPGDPOLBHSD17B10KDM4ERAB9A
SCHEMBL9302316 0.74 PTAFR (0.51) HPGDITKPOLBPTAFRHSD17B10
SCHEMBL9303272 0.73 HPGD (0.58) HPGDPOLBHSD17B10ITGB3ITGAV
SCHEMBL18924427 0.73 KDM4E (0.56) HPGDITKPOLBPTAFRKDM4E

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