SCHEMBL4428237

SCHEMBL4428237

O=C(O)c1ccc(Cc2ccc(Cc3ccccc3)cc2)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HNF4A P41235 1/20 0.49
KDM4A O75164 5/20 0.47
KDM5B Q9UGL1 5/20 0.47
KDM6B O15054 4/20 0.47
KDM4D Q6B0I6 4/20 0.47
HIF1AN Q9NWT6 4/20 0.47
KDM2A Q9Y2K7 4/20 0.47
KDM3B Q7LBC6 3/20 0.46
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
BRS3 P32247 1/20 0.43
PTPN1 P18031 3/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
DAO P14920 1/20 0.42
RNASEH1 O60930 1/20 0.42
PARP1 P09874 1/20 0.42
CAPN1 P07384 1/20 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
SCHEMBL3912930 0.97 KDM4E (0.53) KDM4EHNF4AKDM4AKDM5BKDM6B
SCHEMBL4432424 0.92 HNF4A (0.49) KDM4EHNF4AKDM4AKDM5BKDM6B
SCHEMBL4433258 0.91 KDM4E (0.55) KDM4EHNF4AKDM4AKDM5BKDM6B
SCHEMBL4432530 0.88 KDM4E (0.47) KDM4EHNF4AKDM4AKDM5BKDM6B
SCHEMBL11836193 0.87 KDM4E (0.42) KDM4EHNF4AKDM4AKDM5BKDM6B
SCHEMBL3917621 0.86 DAO (0.46) KDM4EKDM4AKDM5BKDM6BKDM4D
SCHEMBL3920671 0.86 DAO (0.54) KDM4EKDM4AKDM5BKDM4CBRS3
SCHEMBL4430485 0.86 KDM4E (0.41) KDM4EKDM4AKDM5BKDM6BKDM4D
SCHEMBL4431596 0.85 KDM4E (0.45) KDM4EHNF4AHCAR2DAO
SCHEMBL4430692 0.84 KDM4E (0.51) KDM4EHNF4AKDM4AKDM5BKDM6B

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