SCHEMBL2820566

SCHEMBL2820566

CCc1nc2ccc(F)c(F)c2c(OC(=O)CC(C)C)c1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.32
ALOX15 P16050 1/20 0.32
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM2 Q14416 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2821636 0.88 GAA (0.36) MMP13TNKSPARP1TNKS2GAA
SCHEMBL2821593 0.86 MMP13 (0.33) MMP13TNKSPARP1TNKS2GAA
SCHEMBL2821942 0.86 EGFR (0.33) MMP13TNKSPARP1TNKS2GAA
SCHEMBL2821567 0.86 MMP13 (0.33) MMP13TNKSPARP1TNKS2GAA
SCHEMBL2822078 0.85 MMP13 (0.37) MMP13TNKSPARP1TNKS2GAA
SCHEMBL2823051 0.84 MMP13 (0.34) MMP13TNKSPARP1TNKS2GAA
SCHEMBL23652954 0.84 MEN1 (0.34) MMP13TNKSPARP1TNKS2GAA
SCHEMBL2819552 0.84 KDM4E (0.32) MMP13TNKSPARP1TNKS2GAA
SCHEMBL2851123 0.82 KDM4E (0.34) MMP13TNKSPARP1TNKS2GAA
SCHEMBL23652699 0.81 MMP13 (0.35) MMP13TNKSPARP1TNKS2GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed