SCHEMBL10913637

SCHEMBL10913637

Cc1nc(C)c(OC(=O)OC(C)C)c(-c2cccc(Cl)c2Cl)c1OC(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 18/20 0.39
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
PANK3 Q9H999 1/20 0.35

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
SCHEMBL10913013 0.92 SMN1; SMN2 (0.34) PTPN11CDC7DBF4
SCHEMBL10915061 0.91 PTPN11 (0.41) PTPN11CDC7DBF4PANK3
SCHEMBL10910998 0.84 LMNA (0.37)
SCHEMBL10921995 0.84 SMN1; SMN2 (0.43)
SCHEMBL10914725 0.82 CPB1 (0.36)
SCHEMBL10911009 0.82 TDP1 (0.39)
SCHEMBL10910590 0.82 LDHA (0.38) PTPN11
SCHEMBL10914513 0.82 DPP4 (0.34)
SCHEMBL10912905 0.81 CYP1A2 (0.39)
SCHEMBL10914514 0.79 ALDH1A1 (0.35)

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-0088940-B1 PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BAYER AG (DE) 1986-05-21 EP disclosed
EP-0088938-B1 USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY BAYER AG (DE) 1986-04-30 EP disclosed
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 EP disclosed