SCHEMBL8640703

SCHEMBL8640703

COc1ccc(/C=C/c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ ELANE P08246 4/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CTSG P08311 2/20 0.48
▸ KLK7 P49862 2/20 0.48
▸ KLK14 Q9P0G3 2/20 0.48
▸ KLK5 Q9Y337 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ CTRC Q99895 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL8640711 1.00 NPC1 (0.54) NPC1RAB9AKDM4EPOLBELANE
SCHEMBL8643427 0.91 KLK7 (0.54) NPC1RAB9AKDM4EPOLBELANE
SCHEMBL8643434 0.91 KLK7 (0.54) NPC1RAB9AKDM4EPOLBELANE
SCHEMBL8638412 0.88 NPC1 (0.62) NPC1RAB9APOLBELANEKMT2A
SCHEMBL8638406 0.88 NPC1 (0.62) NPC1RAB9APOLBELANEKMT2A
SCHEMBL1589852 0.88 NPC1 (0.72) NPC1RAB9AKDM4EELANEKMT2A
SCHEMBL1589854 0.88 NPC1 (0.72) NPC1RAB9AKDM4EELANEKMT2A
SCHEMBL8638240 0.87 KDM4E (0.51) NPC1RAB9AKDM4EPOLBELANE
SCHEMBL8638248 0.87 KDM4E (0.51) NPC1RAB9AKDM4EPOLBELANE
SCHEMBL11408912 0.87 NPC1 (0.52) NPC1RAB9AKDM4EELANEKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 — — EP disclosed
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