SCHEMBL4430485

SCHEMBL4430485

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
AKR1C3 P42330 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KDM4C Q9H3R0 3/20 0.38
KDM4A O75164 3/20 0.37
KDM5B Q9UGL1 3/20 0.37
KDM6B O15054 2/20 0.37
KDM4D Q6B0I6 2/20 0.37
HIF1AN Q9NWT6 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
DAO P14920 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4438025 0.86 KDM4E (0.41) KDM4EAKR1C3KDM4CKDM4AKDM5B
SCHEMBL4428237 0.86 KDM4E (0.50) KDM4EKDM4CKDM4AKDM5BKDM6B
SCHEMBL11836193 0.86 KDM4E (0.42) KDM4EKDM4CKDM4AKDM5BKDM6B
SCHEMBL3912930 0.85 KDM4E (0.53) KDM4EKDM4CKDM4AKDM5BKDM6B
SCHEMBL3917621 0.84 DAO (0.46) KDM4EKDM4CKDM4AKDM5BKDM6B
SCHEMBL3920671 0.84 DAO (0.54) KDM4EKDM4CKDM4AKDM5BDAO
SCHEMBL4433258 0.83 KDM4E (0.55) KDM4EKDM4CKDM4AKDM5BKDM6B
SCHEMBL4433934 0.82 KDM4E (0.51) KDM4EPDE3BPDE3AALDH1A1GAA
SCHEMBL4431491 0.82 HCAR2 (0.54) KDM4EKDM4CKDM4AKDM5BKDM6B
SCHEMBL11835232 0.81 KDM4E (0.59) KDM4EKDM5BDAOALDH1A1GAA

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