SCHEMBL2826428

SCHEMBL2826428

Cc1nc2ccc(F)c(F)c2c(OC(=O)CC(F)(F)F)c1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2821739 0.85 TSHR (0.34) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2820985 0.82 MMP13 (0.34) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2821980 0.81 RAB9A (0.35) MMP13TNKSPARP1TNKS2TSHR
SCHEMBL2818831 0.80 MMP13 (0.32) MMP13
SCHEMBL2820325 0.80 TSHR (0.40) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2820048 0.80 MMP13 (0.37) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2822898 0.78 MMP13 (0.31) MMP13
SCHEMBL2823045 0.77 KMT2A (0.33) MMP13TNKSPARP1TNKS2KDM4E
SCHEMBL2821657 0.76 KDM4E (0.38) MMP13KDM4ETSHR
SCHEMBL2823027 0.76 MMP13 (0.32) MMP13TSHR

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