SCHEMBL4430818

SCHEMBL4430818

O=C(O)c1ccc(Cc2cc(Cl)cc(Cl)c2)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.45
KDM2B Q8NHM5 1/20 0.45
DAO P14920 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ACLY P53396 3/20 0.40
DYRK1A Q13627 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
KDM4A O75164 2/20 0.37
KDM5A P29375 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
PDE5A O76074 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
SCHEMBL4380912 0.87 HCAR2 (0.54) KDM4CDAOKDM4EHCAR2KDM4A
SCHEMBL3920671 0.86 DAO (0.54) KDM4CDAOKDM4ETSHRCASP1
SCHEMBL4438025 0.85 KDM4E (0.41) KDM4CKDM2BKDM4EHCAR2SMN1; SMN2
SCHEMBL4433217 0.82 KDM4E (0.41) KDM4CDAOKDM4EHCAR2SMN1; SMN2
SCHEMBL3912930 0.81 KDM4E (0.53) KDM4CDAOKDM4EHCAR2SMN1; SMN2
SCHEMBL4376037 0.81 KDM5B (0.41) KDM4CKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4372824 0.79 KDM5A (0.55) KDM4CDAOKDM4EALDH1A1KDM4A
SCHEMBL4431491 0.78 HCAR2 (0.54) KDM4CKDM4EHCAR2KDM4AKDM5A
SCHEMBL4428237 0.78 KDM4E (0.50) KDM4CDAOKDM4EHCAR2TSHR
SCHEMBL11836193 0.78 KDM4E (0.42) KDM4CDAOKDM4ETSHRSMN1; SMN2

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