SCHEMBL8975656

SCHEMBL8975656

COc1cc(OC)nc(C(F)(C(=O)O)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.49
EDNRA P25101 13/20 0.49
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8975735 0.88 EDNRB (0.47) EDNRBEDNRAMAPTKMT2AKDM4E
SCHEMBL9523976 0.78 EDNRB (0.42) EDNRBEDNRAMAPTKMT2A
SCHEMBL8872070 0.75 EDNRB (0.48) EDNRBEDNRAMAPTKMT2AKDM4E
SCHEMBL8871463 0.75 EDNRB (0.51) EDNRBEDNRAMAPTKMT2AKDM4E
SCHEMBL8873369 0.74 EDNRB (0.49) EDNRBEDNRAMAPTKMT2AKDM4E
SCHEMBL8975814 0.74 EDNRB (0.47) EDNRBEDNRAMAPTKMT2AKDM4E
Lithium Ion SCHEMBL8871070 0.72 EDNRB (0.46) EDNRBEDNRAMAPTKMT2A
SCHEMBL8975607 0.72 KDM4E (0.42) EDNRBEDNRAKDM4EALDH1A1
SCHEMBL522914 0.72 CYP1A2 (0.52) MAPTKMT2AALDH1A1
SCHEMBL12095262 0.72 EDNRB (0.54) EDNRBEDNRA

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
US-5502028-A Herbicidal pyrimidinyl or triazinyl haloacetic acid derivatives SCHERING AGROCHEMICALS LIMITED (GB) 1996-03-26 US disclosed