SCHEMBL11210328

SCHEMBL11210328

COc1ccc2cc(-c3nc4cc(Cl)ccc4o3)c(=O)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 3/20 0.63
MAPK1 P28482 1/20 0.63
MAOB P27338 7/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TP53 P04637 3/20 0.53
ALK Q9UM73 1/20 0.53
GAA P10253 2/20 0.50
MAOA P21397 1/20 0.50
SLC16A3 O15427 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL20917468 0.82 KDM4E (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL30165796 0.82 KDM4E (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7910817 0.82 SLC16A3 (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4495071 0.81 KDM4E (0.49) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL25997345 0.81 AGPAT2 (0.53) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29462441 0.80 KDM4E (0.74) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7123865 0.79 NPC1 (0.60) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7120318 0.79 NPC1 (0.75) NPC1RAB9AMAOBCA1CA2
SCHEMBL20786805 0.79 KDM4E (0.46) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2389126 0.79 MAPT (0.64) MAPTNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021304-B1 COUMARIN COMPOUNDS, THEIR PREPARATION AND THEIR USE AS DYESTUFFS BAYER AG (DE) 1983-02-16 EP disclosed
EP-0021304-A1 Coumarin compounds, their preparation and their use as dyestuffs BAYER AG (DE) 1981-01-07 EP disclosed