SCHEMBL3784809

SCHEMBL3784809

CCOC(=O)c1c(C(N)=O)nc2ccc(C)cc2c1Nc1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
MAPT P10636 3/20 0.52
AURKB Q96GD4 2/20 0.49
AURKA O14965 1/20 0.47
PDE4B Q07343 8/20 0.47
EGFR P00533 1/20 0.46
ERBB3 P21860 1/20 0.46
LRRK2 Q5S007 1/20 0.45
HPGD P15428 1/20 0.45
TERT O14746 1/20 0.45
MTNR1B P49286 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CREBBP Q92793 1/20 0.43

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
SCHEMBL3792043 0.84 KDM4E (0.45) TP53MAPTAURKBAURKAHPGD
SCHEMBL5455186 0.74 PDE4B (0.74) TP53MAPTPDE4BCREBBP
SCHEMBL23493909 0.73 MAPT (0.85) TP53MAPTAURKBAURKAPDE4B
SCHEMBL31307824 0.73 MAPT (0.85) TP53MAPTAURKBAURKAPDE4B
SCHEMBL5409568 0.72 PDE4B (0.54) TP53MAPTPDE4BTERT
SCHEMBL5325636 0.70 CREBBP (0.79) TP53MAPTAURKBAURKAPDE4B
SCHEMBL5404702 0.70 PDE4B (0.51) MAPTPDE4BTERTL3MBTL1
SCHEMBL9593574 0.69 TOP2A (0.53) TP53MAPTHPGDTERT
SCHEMBL9595513 0.69 TOP2A (0.59) TP53MAPTHPGDTERTL3MBTL1
SCHEMBL9593251 0.69 TOP2A (0.46) TP53MAPTHPGDTERT

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