SCHEMBL1015829

SCHEMBL1015829

O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1cccc(-c2cccnc2)c1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
SERPINE1 P05121 6/20 0.53
NOTUM Q6P988 1/20 0.48
POLB P06746 1/20 0.48
G6PD P11413 1/20 0.48
GRIK1 P39086 2/20 0.47
KCNH2 Q12809 1/20 0.45
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 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
SCHEMBL1015361 0.99 CNR1 (0.54) CNR1SERPINE1NOTUMPOLBG6PD
SCHEMBL1015833 0.98 CNR1 (0.53) CNR1SERPINE1NOTUMPOLBG6PD
SCHEMBL1016298 0.90 SERPINE1 (0.54) CNR1SERPINE1POLBG6PDGRIK1
SCHEMBL1015831 0.90 CNR1 (0.53) CNR1SERPINE1NOTUMKCNH2LRRK2
SCHEMBL1016339 0.90 CNR1 (0.53) CNR1SERPINE1NOTUMKCNH2MEN1
SCHEMBL1014958 0.89 SERPINE1 (0.55) CNR1SERPINE1POLBG6PDGRIK1
SCHEMBL1016300 0.88 SERPINE1 (0.54) CNR1SERPINE1POLBG6PDGRIK1
SCHEMBL1013196 0.85 SERPINE1 (0.53) SERPINE1POLBG6PDGRIK1MEN1
SCHEMBL1015946 0.84 SERPINE1 (0.54) CNR1SERPINE1POLBG6PDGRIK1
SCHEMBL1015924 0.84 CNR1 (0.54) CNR1SERPINE1POLBG6PDGRIK1

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-2990057-B1 PAI-1 INHIBITOR FOR USE IN ENHANCING THE ANTITUMOR EFFECT OF AN ANTITUMOR AGENT IN A PATIENT RENASCIENCE CO LTD (JP) 2019-03-20 EP disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP disclosed