SCHEMBL4379536

SCHEMBL4379536

O=C(O)c1ccc(Cc2ccc(C(F)(F)F)cc2)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
KDM5B Q9UGL1 1/20 0.54
SRD5A2 P31213 1/20 0.49
DAO P14920 4/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DHODH Q02127 1/20 0.42
HSD17B2 P37059 2/20 0.40
PIK3CA P42336 1/20 0.40
UCHL1 P09936 1/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 2/20 0.40
SORT1 Q99523 1/20 0.40
CYP2C8 P10632 1/20 0.40
RIOX2 Q8IUF8 1/20 0.39
ACLY P53396 1/20 0.39

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
SCHEMBL4438725 0.84 DAO (0.55) KDM5AKDM4CKDM5BDAODHODH
SCHEMBL3917621 0.84 DAO (0.46) KDM5AKDM4CKDM5BDAOKDM4E
SCHEMBL11836193 0.82 KDM4E (0.42) KDM5AKDM4CKDM5BDAOKDM4E
SCHEMBL4428237 0.82 KDM4E (0.50) KDM5AKDM4CKDM5BDAOKDM4E
SCHEMBL3912930 0.82 KDM4E (0.53) KDM5AKDM4CKDM5BDAOKDM4E
SCHEMBL3920671 0.81 DAO (0.54) KDM4CKDM5BDAOKDM4EALDH1A1
SCHEMBL4430485 0.81 KDM4E (0.41) KDM5AKDM4CKDM5BDAOKDM4E
SCHEMBL4433258 0.79 KDM4E (0.55) KDM5AKDM4CKDM5BKDM4EALDH1A1
SCHEMBL4372824 0.77 KDM5A (0.55) KDM5AKDM4CKDM5BDAOKDM4E
SCHEMBL11835232 0.77 KDM4E (0.59) KDM5AKDM5BDAOKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed