SCHEMBL20125476

SCHEMBL20125476

COc1cccc(C(O)c2cc3nccc(C=O)c3[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.70
KDM4A O75164 1/20 0.70
KDM5A P29375 5/20 0.53
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM5B Q9UGL1 3/20 0.40
PKM P14618 1/20 0.38
ERN1 O75460 2/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
CTSA P10619 1/20 0.37
ROCK2 O75116 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20125360 0.87 KDM4C (0.65) KDM4CKDM4AKDM5AKDM4EMAPK1
SCHEMBL20125340 0.86 KDM4C (0.64) KDM4CKDM4AKDM5ACHRM2CHRM1
SCHEMBL16149068 0.83 KDM4C (1.00) KDM4CKDM4AKDM5AKDM5BLMNA
SCHEMBL16150547 0.82 KDM4C (0.82) KDM4CKDM4AKDM5AKDM4EKDM5B
SCHEMBL19231060 0.77 KDM4A (0.62) KDM4CKDM4AKDM5APKMFGFR2
SCHEMBL20125322 0.76 KDM5A (0.62) KDM4CKDM4AKDM5AKDM5B
SCHEMBL20125370 0.74 KDM5A (0.62) KDM4CKDM4AKDM5AKDM5B
SCHEMBL20125475 0.73 KDM5A (0.56) KDM4CKDM4AKDM5AKDM4EMAPK1
SCHEMBL20125300 0.73 KDM5B (0.64) KDM4CKDM4AKDM5AKDM5BROCK2
SCHEMBL16149631 0.70 KDM5A (1.00) KDM4CKDM4AKDM5AKDM4EKDM5B

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-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed