SCHEMBL9752787

SCHEMBL9752787

O=c1ccccn1Cc1ccc(Cn2ccccc2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KLKB1 P03952 5/20 0.48
KLK1 P06870 2/20 0.48
MAPK14 Q16539 1/20 0.46
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL1768170 0.93 POLB (0.61) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL1240350 0.92 MAPT (0.56) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL4591947 0.92 POLB (0.61) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL16881026 0.92 POLB (0.56) POLBNPSR1L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9523272 0.91 KDM4E (0.60) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL16891528 0.90 MAPT (0.61) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL15873869 0.90 POLB (0.54) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL16891381 0.90 POLB (0.54) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL16881558 0.90 POLB (0.54) POLBNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL16246832 0.90 POLB (0.54) POLBNPSR1L3MBTL1KDM4EALDH1A1

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-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO claimed