SCHEMBL1016253

SCHEMBL1016253

Cc1ccc(-c2ccc(F)cc2)cc1NC(=O)COCC(=O)Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
HCAR2 Q8TDS4 3/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.40
DVL1 O14640 1/20 0.40
SERPINE1 P05121 1/20 0.39

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
SCHEMBL1016816 0.99 RXFP1 (0.46) RXFP1HCAR2KDM4EPOLBLMNA
SCHEMBL1015626 0.91 RXFP1 (0.53) RXFP1KDM4EPOLBLMNAALDH1A1
SCHEMBL1016922 0.89 ALDH1A1 (0.43) RXFP1KDM4ELMNAALDH1A1HSD17B10
SCHEMBL1016254 0.88 ALDH1A1 (0.43) RXFP1KDM4EPOLBLMNAALDH1A1
SCHEMBL1015634 0.82 ALDH1A1 (0.53) RXFP1KDM4EPOLBLMNAALDH1A1
SCHEMBL1799401 0.80 PTPN1 (0.64) HCAR2KDM4EPOLBALDH1A1HSD17B10
SCHEMBL1015322 0.80 ALDH1A1 (0.54) RXFP1HCAR2KDM4EPOLBLMNA
SCHEMBL1798766 0.79 HCAR2 (0.47) HCAR2KDM4EPOLBALDH1A1HSD17B10
SCHEMBL1015691 0.79 ALDH1A1 (0.52) KDM4EPOLBLMNAALDH1A1HSD17B10
SCHEMBL1014577 0.79 KDM4E (0.50) HCAR2KDM4EALDH1A1HSD17B10KMT2A

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