SCHEMBL4428820

SCHEMBL4428820

O=C(O)c1ccc(Cc2ccccc2Br)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM6B O15054 4/20 0.39
KDM4A O75164 4/20 0.39
KDM4D Q6B0I6 4/20 0.39
HIF1AN Q9NWT6 4/20 0.39
KDM5B Q9UGL1 4/20 0.39
KDM2A Q9Y2K7 4/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM3B Q7LBC6 3/20 0.38
NAPRT Q6XQN6 1/20 0.38
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL4432530 0.85 KDM4E (0.47) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4433052 0.84 DAO (0.49) KDM4EALDH1A1KDM4AKDM5BPDE3B
SCHEMBL4431808 0.83 KDM4E (0.50) KDM4EALDH1A1MMP1MMP2MMP9
SCHEMBL4433888 0.82 KDM4E (0.53) KDM4EALDH1A1KDM6BKDM4AKDM4D
SCHEMBL3912930 0.81 KDM4E (0.53) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4432204 0.80 KDM4E (0.43) KDM4EALDH1A1KDM6BKDM4AKDM4D
SCHEMBL11836870 0.80 BRS3 (0.49) KDM4EALDH1A1GAASMN1; SMN2RXFP1
SCHEMBL4431911 0.80 AR (0.44) KDM4EALDH1A1GAA
SCHEMBL4428237 0.78 KDM4E (0.50) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4430819 0.77 BRS3 (0.46) KDM4E

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