SCHEMBL16618930

SCHEMBL16618930

CCNC(=O)COc1cc2c(N[C@H](C)c3ccccc3)c([N+](=O)[O-])cnc2cc1-c1c(C)noc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.44
CYP3A4 P08684 11/20 0.43
CYP2C9 P11712 10/20 0.43
BRD2 P25440 8/20 0.42
BRD3 Q15059 8/20 0.42
BRDT Q58F21 2/20 0.41
ALDH1A1 P00352 1/20 0.39
PDE4B Q07343 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRIM24 O15164 1/20 0.38
BRD1 O95696 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRM2 P08172 1/20 0.38
CCL2 P13500 1/20 0.38
DRD2 P14416 1/20 0.38
TAF1 P21675 1/20 0.38
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL16618802 0.91 CYP3A4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619324 0.90 CYP3A4 (0.48) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL11909203 0.86 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619338 0.86 BRD4 (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619529 0.77 LMNA (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619532 0.77 LMNA (0.55) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1907697 0.77 BRD4 (0.57) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL11909184 0.76 BRD4 (0.59) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619839 0.76 BRD4 (0.59) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16618922 0.76 BRD4 (0.49) 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