SCHEMBL9752644

SCHEMBL9752644

O=c1ccccn1Cc1ccccc1Cn1ccccc1=O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PSMB1 P20618 1/20 0.40
LMNA P02545 1/20 0.40
MAP3K14 Q99558 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
SCHEMBL27602871 0.90 POLB (0.50) POLBNPSR1MAPTL3MBTL1TSHR
SCHEMBL28003319 0.86 POLB (0.69) POLBNPSR1LMNAMAP3K14
SCHEMBL28003324 0.86 POLB (0.55) POLBNPSR1MAPTMAPK1LMNA
SCHEMBL17457962 0.83 HTT (0.54) POLBNPSR1MAPT
SCHEMBL9752787 0.82 POLB (0.63) POLBNPSR1MAPTL3MBTL1
SCHEMBL15331455 0.82 POLB (0.46) POLBNPSR1MAPTTSHRPSMB1
SCHEMBL18764514 0.82 ALDH1A1 (0.61) POLBNPSR1L3MBTL1TSHRLMNA
SCHEMBL11540601 0.80 HTR7 (0.45) POLBNPSR1
SCHEMBL31310034 0.80 KLKB1 (0.51) POLBNPSR1MAPTTSHRPSMB1
SCHEMBL1768170 0.80 POLB (0.61) POLBNPSR1MAPTL3MBTL1PSMB1

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