SCHEMBL3787191

SCHEMBL3787191

CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
AURKB Q96GD4 2/20 0.67
AURKA O14965 1/20 0.67
MAPK1 P28482 2/20 0.66
GAA P10253 7/20 0.65
HTT P42858 3/20 0.64
ALDH1A1 P00352 1/20 0.64
RXFP1 Q9HBX9 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
TP53 P04637 2/20 0.63
SMN1; SMN2 Q16637 6/20 0.62
PAX8 Q06710 1/20 0.62
THRB P10828 2/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 2/20 0.57
MC4R P32245 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57

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
SCHEMBL3655078 0.92 MAPT (0.70) MAPTAURKBAURKAMAPK1GAA
SCHEMBL3782311 0.90 GAA (0.67) MAPTAURKBAURKAMAPK1GAA
SCHEMBL403264 0.90 AURKB (0.67) MAPTAURKBAURKAMAPK1GAA
SCHEMBL30864147 0.89 AURKB (0.75) MAPTAURKBAURKAMAPK1GAA
SCHEMBL18998183 0.89 AURKB (0.75) MAPTAURKBAURKAMAPK1GAA
SCHEMBL529114 0.89 AURKB (0.66) MAPTAURKBAURKAMAPK1GAA
SCHEMBL402960 0.89 MAPT (0.67) MAPTAURKBAURKAMAPK1GAA
SCHEMBL20390760 0.88 AURKB (0.65) MAPTAURKBAURKAMAPK1GAA
SCHEMBL17439971 0.87 AURKB (0.64) MAPTAURKBAURKAMAPK1GAA
SCHEMBL529278 0.86 AURKB (0.63) MAPTAURKBAURKAMAPK1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 WO disclosed
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 WO disclosed