SCHEMBL459452

SCHEMBL459452

O=c1cc(O)ccn1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.44
MAPK14 Q16539 2/20 0.44
MCHR1 Q99705 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
DBH P09172 1/20 0.41

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
SCHEMBL1523244 0.83 MAPK14 (0.62) SMN1; SMN2LMNATP53MAPK14KMT2A
SCHEMBL4378877 0.83 MAPK14 (0.49) ALDH1A1THRBSMN1; SMN2LMNAL3MBTL1
SCHEMBL4479062 0.78 MAPK14 (0.74) SMN1; SMN2MAPK14MCHR1
SCHEMBL461108 0.76 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL1240350 0.75 MAPT (0.56) ALDH1A1MAPTTHRBSMN1; SMN2L3MBTL1
SCHEMBL460897 0.74 ALDH1A1 (0.48) ALDH1A1MAPTTHRBSMN1; SMN2LMNA
SCHEMBL4480114 0.74 MAPK14 (0.84) SMN1; SMN2MAPK14MCHR1
SCHEMBL21419948 0.73 MAPT (0.56) MAPTTHRBTP53MAPK14KMT2A
SCHEMBL32665600 0.73 MAPK14 (0.44) ALDH1A1MAPTSMN1; SMN2LMNATP53
SCHEMBL29348747 0.73 KMT2A (0.44) ALDH1A1MAPTTHRBSMN1; SMN2TP53

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-2012011707-A2 SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-01-26 WO disclosed