SCHEMBL1015135

SCHEMBL1015135

O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1ccc(-c2ccc(F)cc2)cc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
POLB P06746 1/20 0.51
G6PD P11413 1/20 0.51
SERPINE1 P05121 4/20 0.49
CETP P11597 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
KLK7 P49862 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.46
P2RX1 P51575 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1015269 0.99 GRIK1 (0.52) GRIK1POLBG6PDSERPINE1CETP
SCHEMBL1015946 0.91 SERPINE1 (0.54) GRIK1POLBG6PDSERPINE1KDM4E
SCHEMBL1015100 0.89 SERPINE1 (0.55) GRIK1POLBG6PDSERPINE1KDM4E
SCHEMBL1797569 0.88 SERPINE1 (0.56) GRIK1POLBG6PDSERPINE1KDM4E
SCHEMBL1015454 0.88 ALDH1A1 (0.51) CETPKDM4EGAAKLK7MAPT
SCHEMBL1015137 0.88 KLK7 (0.46) GRIK1CETPGAAKLK7MAPT
SCHEMBL1015619 0.87 SERPINE1 (0.49) GRIK1POLBG6PDSERPINE1CETP
SCHEMBL1015626 0.86 RXFP1 (0.53) POLBG6PDSERPINE1KDM4EGAA
SCHEMBL1013461 0.86 SERPINE1 (0.56) POLBG6PDSERPINE1KDM4EGAA
SCHEMBL17530205 0.84 KLK7 (0.47) GRIK1POLBG6PDSERPINE1KDM4E

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 3 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-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 EP disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP disclosed