SCHEMBL16619524

SCHEMBL16619524

COC(=O)COc1ccc(N)cc1-c1c(C)noc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.41
FFAR1 O14842 2/20 0.41
HDAC1 Q13547 1/20 0.41
BRD4 O60885 5/20 0.40
AR P10275 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.39
BRD2 P25440 3/20 0.39
BRD3 Q15059 3/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
APP P05067 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
SCHEMBL16619017 0.82 AKR1C3 (0.47) PTGDR2FFAR1POLB
SCHEMBL29619075 0.81 BRD4 (0.45) ATAD2PTGDR2FFAR1BRD4AR
SCHEMBL1907803 0.80 BRD4 (0.48) ATAD2FFAR1BRD4BRD2BRD3
SCHEMBL1906132 0.80 BRD4 (0.48) ATAD2FFAR1BRD4BRD2BRD3
SCHEMBL16619466 0.77 BRD4 (0.48) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL17467705 0.76 MAP4K4 (0.40) ATAD2HDAC1BRD4ARCYP3A4
SCHEMBL16619434 0.75 ALDH1A1 (0.42) FFAR1HDAC1CYP3A4
SCHEMBL959829 0.74 HTT (0.52) CYP2C9KDM4EPOLB
SCHEMBL24398370 0.73 BRD4 (0.47) BRD4BRD2BRD3KDM4E
Hydrochloric Acid SCHEMBL8474144 0.72 ALDH1A1 (0.51) PTGDR2KDM4EPOLBAPP

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