SCHEMBL9356151

SCHEMBL9356151

COc1ccc(Cn2c(=O)c(C#N)cc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
GABRA5 P31644 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 5/20 0.47
PPARG P37231 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
CNR2 P34972 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL9356192 0.86 CNR1 (0.53) P2RX4ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5560196 0.84 CNR1 (0.50) ALDH1A1KDM4ESMN1; SMN2GAAKMT2A
SCHEMBL27942329 0.81 P2RX4 (0.56) P2RX4ALDH1A1KDM4EGABRA5SMN1; SMN2
SCHEMBL15329829 0.79 P2RX4 (0.53) P2RX4ALDH1A1KDM4EGABRA5SMN1; SMN2
SCHEMBL16627676 0.78 P2RX4 (0.52) P2RX4KDM4EGABRA5SMN1; SMN2GAA
SCHEMBL27806397 0.77 P2RX4 (0.51) P2RX4GABRA5SMN1; SMN2GAAPOLB
SCHEMBL27204179 0.76 KDM4E (0.58) P2RX4ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL2863880 0.76 P2RX4 (0.62) P2RX4ALDH1A1KDM4EGABRA5SMN1; SMN2
SCHEMBL27946553 0.75 KMT2A (0.73) P2RX4ALDH1A1KDM4EGABRA5SMN1; SMN2
SCHEMBL18257930 0.75 P2RX4 (0.54) P2RX4ALDH1A1KDM4ESMN1; SMN2GAA

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
EP-0625144-A1 PYRIDONE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015056-A1 PYRIDONE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed