SCHEMBL14756281

SCHEMBL14756281

COc1cc2c(NO)c(C(N)=O)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.75
CYP2C9 P11712 9/20 0.75
BRD4 O60885 8/20 0.75
BRD2 P25440 6/20 0.75
BRD3 Q15059 6/20 0.75
CYP2C19 P33261 1/20 0.68
PDE4B Q07343 1/20 0.68
CSF1R P07333 6/20 0.51

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
SCHEMBL15985177 0.87 BRD4 (0.68) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1903177 0.86 BRD4 (0.67) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16774314 0.85 BRD4 (0.58) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL18904314 0.85 CYP3A4 (0.70) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1904764 0.85 BRD4 (0.68) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL13731747 0.84 CYP3A4 (0.72) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL13732062 0.83 BRD4 (0.69) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1905935 0.83 CYP3A4 (0.64) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL1905705 0.83 BRD4 (0.63) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL2725816 0.83 CYP3A4 (0.69) CYP3A4CYP2C9BRD4BRD2BRD3

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
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed