SCHEMBL4432424

SCHEMBL4432424

O=C(O)c1ccc(Cc2cccc(Cc3ccccc3)c2)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.49
ACMSD Q8TDX5 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KDM5B Q9UGL1 6/20 0.46
KDM4A O75164 5/20 0.46
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
PARP1 P09874 1/20 0.46
KDM6B O15054 4/20 0.44
KDM4D Q6B0I6 4/20 0.44
HIF1AN Q9NWT6 4/20 0.44
KDM2A Q9Y2K7 4/20 0.44
PTPN1 P18031 3/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KDM3B Q7LBC6 3/20 0.43
DAO P14920 1/20 0.43
MPO P05164 1/20 0.41
PLA2G2A P14555 1/20 0.41

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 0.92 KDM4E (0.50) HNF4AKDM4EKDM5BKDM4AKDM5A
SCHEMBL3912930 0.92 KDM4E (0.53) HNF4AKDM4EKDM5BKDM4AKDM5A
SCHEMBL4430692 0.89 KDM4E (0.51) HNF4AACMSDKDM4EKDM5BKDM4A
SCHEMBL4438787 0.86 KDM4E (0.41) HNF4AACMSDKDM4EKDM5BKDM4A
SCHEMBL4438623 0.86 HCAR2 (0.54) KDM4EHCAR2DAO
SCHEMBL4431491 0.86 HCAR2 (0.54) KDM4EKDM5BKDM4AKDM5AKDM4C
SCHEMBL4380912 0.86 HCAR2 (0.54) KDM4EKDM5BKDM4AKDM4CHCAR2
SCHEMBL4438837 0.85 ALDH1A1 (0.49) KDM4EPARP1DAOMPORNASEH1
SCHEMBL4431596 0.84 KDM4E (0.45) HNF4AKDM4EHCAR2DAO
SCHEMBL4432530 0.84 KDM4E (0.47) HNF4AKDM4EKDM5BKDM4AKDM5A

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