SCHEMBL4433258

SCHEMBL4433258

O=C(O)c1ccc(Cc2ccc(-c3ccccc3)cc2)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
BRS3 P32247 4/20 0.44
ACMSD Q8TDX5 2/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
HNF4A P41235 1/20 0.42
PTPN1 P18031 1/20 0.42
GAA P10253 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
DCLRE1A Q6PJP8 1/20 0.42
DCLRE1B Q9H816 1/20 0.42
KDM4A O75164 3/20 0.42
KDM5B Q9UGL1 3/20 0.42
KDM6B O15054 2/20 0.42
KDM4D Q6B0I6 2/20 0.42
HIF1AN Q9NWT6 2/20 0.42

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
SCHEMBL4428237 0.91 KDM4E (0.50) KDM4EBRS3HNF4APTPN1LMNA
SCHEMBL3912930 0.91 KDM4E (0.53) KDM4EBRS3HNF4APTPN1KDM4A
SCHEMBL4430692 0.87 KDM4E (0.51) KDM4EACMSDHNF4APTPN1DCLRE1A
SCHEMBL4426842 0.85 KDM4E (0.49) KDM4EGAALMNATSHRALDH1A1
SCHEMBL11836193 0.84 KDM4E (0.42) KDM4EHNF4AGAATSHRKDM4A
SCHEMBL4432424 0.84 HNF4A (0.49) KDM4EACMSDHNF4APTPN1KDM4A
SCHEMBL4430485 0.83 KDM4E (0.41) KDM4EGAAKDM4AKDM5BKDM6B
SCHEMBL3917621 0.83 DAO (0.46) KDM4EBRS3KDM4AKDM5BKDM6B
SCHEMBL3920671 0.83 DAO (0.54) KDM4EBRS3GAALMNATSHR
SCHEMBL4431596 0.82 KDM4E (0.45) KDM4EHNF4ADHODH

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