SCHEMBL4431491

SCHEMBL4431491

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.54
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP1 P09874 2/20 0.40
KDM5B Q9UGL1 5/20 0.39
KDM4A O75164 3/20 0.39
KDM6B O15054 2/20 0.39
KDM4D Q6B0I6 2/20 0.39
HIF1AN Q9NWT6 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM5A P29375 1/20 0.39
KDM3B Q7LBC6 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
SCHEMBL4438025 0.87 KDM4E (0.41) HCAR2MMP9KDM4EKDM5BKDM4A
SCHEMBL4432424 0.86 HNF4A (0.49) HCAR2KDM4EPARP1KDM5BKDM4A
SCHEMBL4430805 0.84 KDM4E (0.47) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL3912930 0.84 KDM4E (0.53) HCAR2KDM4EPARP1KDM5BKDM4A
SCHEMBL4438623 0.83 HCAR2 (0.54) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL4430692 0.83 KDM4E (0.51) MMP1MMP2MMP12KDM4EKDM5B
SCHEMBL4380912 0.83 HCAR2 (0.54) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL4438787 0.83 KDM4E (0.41) HCAR2KDM4EPARP1KDM5BKDM4A
SCHEMBL4430485 0.82 KDM4E (0.41) HCAR2KDM4EKDM5BKDM4AKDM6B
SCHEMBL4428237 0.81 KDM4E (0.50) HCAR2KDM4EPARP1KDM5BKDM4A

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