SCHEMBL10503447

SCHEMBL10503447

CCOC(=O)OC1=C(C)Nc2ccn(C)c(=O)c2C1c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.43
HSD17B10 Q99714 4/20 0.41
ACHE P22303 3/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL10791132 0.87 ACHE (0.54) DHFRHSD17B10ACHECYP2C9CYP2C19
SCHEMBL11000277 0.85 TNF (0.38) DHFRHSD17B10ACHECYP2C9CYP2C19
SCHEMBL10502963 0.85 CACNA1C (0.43) ACHE
SCHEMBL11034438 0.84 CACNA1D (0.44) HSD17B10ACHECYP2C9CYP2C19ALDH1A1
SCHEMBL10503261 0.83 CYP2C9 (0.48) HSD17B10CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL11035332 0.82 DHFR (0.44) DHFRHSD17B10ACHECYP2C9CYP2C19
SCHEMBL11360232 0.77 DHFR (0.47) DHFRHSD17B10ACHECYP2C9CYP2C19
SCHEMBL10502686 0.77 KDM4E (0.44) HSD17B10CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL10999744 0.76 CACNA1F (0.53) CYP2C9CYP2C19MEN1KMT2APOLB
SCHEMBL10915404 0.76 DHFR (0.46) DHFRHSD17B10ACHECYP2C9CYP2C19

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