SCHEMBL4438787

SCHEMBL4438787

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KDM5B Q9UGL1 7/20 0.39
KDM4A O75164 5/20 0.39
KDM6B O15054 4/20 0.39
KDM4D Q6B0I6 4/20 0.39
HIF1AN Q9NWT6 4/20 0.39
KDM2A Q9Y2K7 4/20 0.39
KDM3B Q7LBC6 3/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM5A P29375 1/20 0.39
MAOB P27338 1/20 0.38
PARP1 P09874 1/20 0.38
HNF4A P41235 1/20 0.37
HCAR2 Q8TDS4 4/20 0.36
ACMSD Q8TDX5 1/20 0.36
PDE5A O76074 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL4432424 0.86 HNF4A (0.49) KDM4EKDM5BKDM4AKDM6BKDM4D
SCHEMBL3912930 0.84 KDM4E (0.53) KDM4EKDM5BKDM4AKDM6BKDM4D
SCHEMBL4438623 0.83 HCAR2 (0.54) KDM4EHCAR2DAO
SCHEMBL4431491 0.83 HCAR2 (0.54) KDM4EKDM5BKDM4AKDM6BKDM4D
SCHEMBL4380912 0.83 HCAR2 (0.54) KDM4EKDM5BKDM4AKDM4CHCAR2
SCHEMBL4430692 0.83 KDM4E (0.51) KDM4EKDM5BKDM4AKDM6BKDM4D
SCHEMBL4428237 0.81 KDM4E (0.50) KDM4EKDM5BKDM4AKDM6BKDM4D
SCHEMBL4438725 0.80 DAO (0.55) KDM5BKDM4CKDM5ADAO
SCHEMBL4425949 0.80 NOTUM (0.42) KDM4EKDM5BKDM4AKDM6BKDM4D
SCHEMBL11841940 0.80 KDM4C (0.58) KDM4EKDM5BKDM4CDAO

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