SCHEMBL8787461

SCHEMBL8787461

COCOc1ccc2cc(-c3cc[nH]n3)c(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 7/20 0.51
ALDH1A1 P00352 6/20 0.51
GAA P10253 5/20 0.51
GLA P06280 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 4/20 0.49
HSD17B10 Q99714 3/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL8787000 0.87 MAOB (0.64) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8788290 0.81 MAOB (0.41) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL6939176 0.80 NPC1 (0.65) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL5854161 0.77 MIF (0.61) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL5854157 0.76 MIF (0.56) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8788360 0.76 MAOB (0.44) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8787469 0.76 MAPT (0.50) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8787165 0.75 RAB9A (0.63) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8788335 0.75 GLA (0.48) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL8787131 0.74 MAOB (0.48) KDM4EHPGDALDH1A1MAPTSMN1; SMN2

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-0758649-A1 Chromone derivative, process for preparing same and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-02-19 EP disclosed