SCHEMBL4433052

SCHEMBL4433052

O=C(O)c1ccc(Cc2ccccc2Cl)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
BRS3 P32247 1/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM4A O75164 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
AR P10275 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NLRP3 Q96P20 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL4432530 0.84 KDM4E (0.47) DAOKDM4EKDM4AKDM4CKDM5B
SCHEMBL4428820 0.84 KDM4E (0.47) KDM4EKDM4AKDM5BPDE3BPDE3A
SCHEMBL4433888 0.81 KDM4E (0.53) BRS3KDM4EKDM4AKDM5BALDH1A1
SCHEMBL3912930 0.80 KDM4E (0.53) DAOBRS3KDM4EKDM4AKDM4C
SCHEMBL4432204 0.79 KDM4E (0.43) BRS3KDM4EKDM4AKDM5BALDH1A1
SCHEMBL11836870 0.79 BRS3 (0.49) BRS3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL4431911 0.79 AR (0.44) DAOKDM4EALDH1A1ARMEN1
SCHEMBL4428237 0.77 KDM4E (0.50) DAOBRS3KDM4EKDM4AKDM4C
SCHEMBL4430819 0.76 BRS3 (0.46) BRS3KDM4E
SCHEMBL4438825 0.76 BRS3 (0.42) BRS3KDM4ELMNAMAPTALDH1A1

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