SCHEMBL9301352

SCHEMBL9301352

COc1cc(C(=O)N(C)C2CCCCC2)ccc1Cc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPK10 P53779 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CXCR6 O00574 1/20 0.46
HPGD P15428 1/20 0.45
ITK Q08881 1/20 0.45
POLB P06746 3/20 0.44
PTAFR P25105 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 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 0.87 HPGD (0.46) HSD17B10HPGDITKPOLBPTAFR
SCHEMBL9302186 0.87 HPGD (0.46) HSD17B10HPGDITKPOLBPTAFR
SCHEMBL9302033 0.83 HPGD (0.60) HSD17B10HPGDITKPOLBPTAFR
SCHEMBL9303440 0.82 HPGD (0.51) HSD17B10HPGDITKPOLBPTAFR
SCHEMBL9301797 0.77 RAB9A (0.58) TSHRMAPK10HSD17B10POLBKDM4E
SCHEMBL3456944 0.75 POLB (0.57) ITKPOLBPTAFRNPC1RAB9A
SCHEMBL9303110 0.75 PTAFR (0.52) HSD17B10HPGDITKPOLBPTAFR
SCHEMBL9302316 0.73 PTAFR (0.51) HSD17B10HPGDITKPOLBPTAFR
SCHEMBL9303272 0.72 HPGD (0.58) HSD17B10HPGDPOLBITGB3ITGAV
SCHEMBL18924427 0.72 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