SCHEMBL1907775

SCHEMBL1907775

CCC(CC)Nc1ccc(OC)c(-c2c(C)noc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.43
BRD2 P25440 11/20 0.43
BRD3 Q15059 11/20 0.43
FFAR1 O14842 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR3C1 P04150 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1907809 0.86 BRD4 (0.48) BRD4BRD2BRD3FFAR1CYP3A4
SCHEMBL13732133 0.82 BRD4 (0.47) BRD4BRD2BRD3FFAR1CYP3A4
SCHEMBL13732130 0.81 BRD4 (0.46) BRD4BRD2BRD3FFAR1CYP3A4
SCHEMBL15314278 0.76 BRD4 (0.50) BRD4BRD2BRD3FFAR1NR3C1
SCHEMBL1905062 0.74 DHODH (0.49) BRD4BRD2BRD3FFAR1
SCHEMBL1907803 0.73 BRD4 (0.48) BRD4BRD2BRD3FFAR1NR3C1
SCHEMBL1906132 0.73 BRD4 (0.48) BRD4BRD2BRD3FFAR1NR3C1
SCHEMBL24398567 0.73 POLB (0.52) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL12095422 0.72 FFAR1 (0.44) BRD4BRD2BRD3FFAR1NR3C1
SCHEMBL12677343 0.71 DHODH (0.44) BRD4BRD2BRD3FFAR1

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-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed