SCHEMBL16619650

SCHEMBL16619650

COCCOc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.52
HSD17B10 Q99714 4/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
RAB9A P51151 1/20 0.46
SIRT1 Q96EB6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 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
SCHEMBL5649656 0.87 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL16619546 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL15010761 0.86 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL16618887 0.84 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL6431219 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL17675496 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL30616291 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL6354110 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL5739156 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4
SCHEMBL15010536 0.76 ALDH1A1 (0.59) ALDH1A1HSD17B10MAPK1CYP1A2CYP3A4

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