SCHEMBL16619496

SCHEMBL16619496

COc1cc2c(NCc3ccccc3)c([N+](=O)[O-])cnc2cc1-c1c(C)noc1C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.55
CYP3A4 P08684 13/20 0.55
CYP2C9 P11712 13/20 0.55
BRD2 P25440 11/20 0.55
BRD3 Q15059 11/20 0.55
CYP2C19 P33261 1/20 0.47
PDE4B Q07343 1/20 0.47
BRDT Q58F21 1/20 0.47

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
SCHEMBL15973101 0.92 LMNA (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619333 0.92 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619157 0.92 CYP3A4 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1907382 0.89 BRD4 (0.57) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16618838 0.88 CYP3A4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619098 0.85 CYP3A4 (0.60) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL25695289 0.85 BRD4 (0.53) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1908447 0.85 BRD4 (0.46) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619069 0.85 CYP3A4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619338 0.85 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed