SCHEMBL16619532

SCHEMBL16619532

Cc1noc(C)c1-c1ccc2c(NC(C)c3ccccc3)c([N+](=O)[O-])cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
BRD4 O60885 6/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
BRD2 P25440 3/20 0.52
BRD3 Q15059 3/20 0.52
POLB P06746 4/20 0.45
SLC2A1 P11166 1/20 0.45
TP53 P04637 1/20 0.44
GPR55 Q9Y2T6 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL16619529 1.00 LMNA (0.55) LMNABRD4CYP3A4CYP2C9BRD2
SCHEMBL16619284 0.86 LMNA (0.59) LMNABRD4CYP3A4CYP2C9BRD2
SCHEMBL16619289 0.86 LMNA (0.59) LMNABRD4CYP3A4CYP2C9BRD2
SCHEMBL11909203 0.84 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619338 0.84 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1908339 0.82 BRD4 (0.71) LMNABRD4CYP3A4CYP2C9BRD2
SCHEMBL16618802 0.79 CYP3A4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL10589261 0.78 GALR3 (0.49) POLBTP53ALDH1A1GAAHTT
SCHEMBL16618930 0.77 BRD4 (0.44) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1908122 0.77 BRD4 (0.51) LMNABRD4CYP3A4CYP2C9BRD2

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