SCHEMBL4428696

SCHEMBL4428696

O=C(O)c1ccc(Cc2ccc3cc(F)ccc3c2)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.43
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DDO Q99489 1/20 0.38
SLC16A3 O15427 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BRS3 P32247 1/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL4431596 0.88 KDM4E (0.45) DAOKDM4EHCAR2MEN1KMT2A
SCHEMBL3917621 0.86 DAO (0.46) DAOKDM5AKDM5BKDM4ECYP2C19
SCHEMBL4433217 0.85 KDM4E (0.41) DAOKDM5AKDM5BKDM4EALDH1A1
SCHEMBL4438623 0.84 HCAR2 (0.54) DAOKDM4EHCAR2BRS3
SCHEMBL4429517 0.83 TSHR (0.46) DAOKDM4EALDH1A1LMNAHPGD
SCHEMBL4372824 0.82 KDM5A (0.55) DAOKDM5AKDM5BKDM4EALDH1A1
SCHEMBL4376037 0.78 KDM5B (0.41) KDM5AKDM5BKDM4EALDH1A1HPGD
SCHEMBL4428237 0.76 KDM4E (0.50) DAOKDM5AKDM5BKDM4ELMNA
SCHEMBL11836193 0.76 KDM4E (0.42) DAOKDM5AKDM5BKDM4EALDH1A1
SCHEMBL3912930 0.75 KDM4E (0.53) DAOKDM5AKDM5BKDM4EHCAR2

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-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed