SCHEMBL1016298

SCHEMBL1016298

O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1cccc(-c2ccncc2)c1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.54
CNR1 P21554 2/20 0.52
POLB P06746 1/20 0.49
G6PD P11413 1/20 0.49
GRIK1 P39086 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1014958 0.99 SERPINE1 (0.55) SERPINE1CNR1POLBG6PDGRIK1
SCHEMBL1016300 0.98 SERPINE1 (0.54) SERPINE1CNR1POLBG6PDGRIK1
SCHEMBL1015829 0.90 CNR1 (0.53) SERPINE1CNR1POLBG6PDGRIK1
SCHEMBL1016299 0.89 CNR1 (0.51) SERPINE1CNR1GRIK1MEN1KMT2A
SCHEMBL1015635 0.89 CNR1 (0.51) SERPINE1CNR1GRIK1MEN1KMT2A
SCHEMBL1015361 0.89 CNR1 (0.54) SERPINE1CNR1POLBG6PDGRIK1
SCHEMBL1015619 0.89 SERPINE1 (0.49) SERPINE1POLBG6PDGRIK1MAPT
SCHEMBL1015833 0.88 CNR1 (0.53) SERPINE1CNR1POLBG6PDGRIK1
SCHEMBL1015946 0.88 SERPINE1 (0.54) SERPINE1CNR1POLBG6PDGRIK1
SCHEMBL1013240 0.87 SERPINE1 (0.54) SERPINE1CNR1POLBG6PDGRIK1

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
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP disclosed