SCHEMBL10503261

SCHEMBL10503261

CCOC(=O)OC1=C(C)Nc2ccn(C)c(=O)c2C1c1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ABCB11 O95342 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
NR1I2 O75469 1/20 0.48
GMNN O75496 1/20 0.48

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
SCHEMBL10502686 0.91 KDM4E (0.44) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL11005782 0.90 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL10786375 0.87 CYP2C9 (0.61) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL11003338 0.85 ACHE (0.44) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL10503447 0.83 DHFR (0.43) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL11001264 0.82 CYP2C9 (0.49) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL10502963 0.82 CACNA1C (0.43) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10789103 0.81 KDM4E (0.58) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL11034438 0.81 CACNA1D (0.44) CYP2C9CYP3A4CYP2C19TSHRLMNA
SCHEMBL10924654 0.79 CYP2C9 (0.42) CYP2C9CYP3A4CYP2C19TSHRLMNA

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-0133530-B1 1,6-NAPHTHYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICAMENTS CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1989-03-15 EP disclosed
EP-0133530-A2 1,6-Naphthyridinone derivatives, process for their preparation, and medicaments containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1985-02-27 EP disclosed