SCHEMBL16619294

SCHEMBL16619294

COc1cc2c(NCCCNC(=O)O)c(N)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.54
CYP3A4 P08684 9/20 0.54
CYP2C9 P11712 9/20 0.54
BRD2 P25440 5/20 0.54
BRD3 Q15059 5/20 0.54
CYP2C19 P33261 1/20 0.49
PDE4B Q07343 1/20 0.49
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 1/20 0.46
BRDT Q58F21 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL16619078 0.87 BRD4 (0.50) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619079 0.87 BRD4 (0.50) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16771681 0.85 CYP3A4 (0.52) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619514 0.83 BRD4 (0.54) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL17967453 0.83 BRD4 (0.50) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL17967397 0.82 BRD4 (0.50) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16774314 0.82 BRD4 (0.58) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16619378 0.79 BRD4 (0.61) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18249915 0.79 BRD4 (0.52) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL15972881 0.79 LMNA (0.50) 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