SCHEMBL9752676

SCHEMBL9752676

O=c1ccccn1Cc1cccc(Cn2ccccc2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPK14 Q16539 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PSMB1 P20618 1/20 0.44
KLKB1 P03952 3/20 0.43
KLK1 P06870 2/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL13932944 0.91 POLB (0.50) POLBNPSR1MAPK14EGLN1PSMB1
SCHEMBL30799185 0.88 POLB (0.50) POLBNPSR1MAPK14EGLN1KDM4E
SCHEMBL14611520 0.88 MAPT (0.57) POLBNPSR1KDM4EALDH1A1TP53
SCHEMBL28003373 0.88 EGLN1 (0.61) POLBNPSR1EGLN1KDM4EALDH1A1
SCHEMBL28003659 0.88 SMN1; SMN2 (0.50) POLBNPSR1MAPK14KDM4E
SCHEMBL1768170 0.88 POLB (0.61) POLBNPSR1MAPK14KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9523272 0.86 KDM4E (0.60) POLBNPSR1MAPK14KDM4EALDH1A1
SCHEMBL9752787 0.85 POLB (0.63) POLBNPSR1MAPK14EGLN1KDM4E
SCHEMBL28224155 0.84 NCF1 (0.60) POLBNPSR1KDM4EALDH1A1TP53
SCHEMBL28817529 0.84 MAPT (0.63) POLBNPSR1KDM4EALDH1A1KLKB1

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