SCHEMBL2819552

SCHEMBL2819552

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP13 P45452 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
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
SCHEMBL5833104 0.91 GPR119 (0.31)
SCHEMBL2822078 0.90 MMP13 (0.37) KDM4EL3MBTL1MMP13MEN1KMT2A
SCHEMBL2819546 0.89 KDM4E (0.31) KDM4EL3MBTL1MEN1KMT2AGAA
SCHEMBL2851123 0.87 KDM4E (0.34) KDM4EL3MBTL1MMP13MEN1KMT2A
SCHEMBL2821567 0.86 MMP13 (0.33) KDM4EL3MBTL1MMP13MEN1KMT2A
SCHEMBL2823051 0.84 MMP13 (0.34) KDM4EL3MBTL1MMP13MEN1KMT2A
SCHEMBL2820995 0.84 KDM4E (0.32) KDM4EL3MBTL1MMP13MEN1KMT2A
SCHEMBL2820566 0.84 MMP13 (0.32) KDM4EL3MBTL1MMP13MEN1KMT2A
SCHEMBL2821636 0.83 GAA (0.36) KDM4EL3MBTL1MMP13MEN1KMT2A
SCHEMBL2822987 0.83 KDM4E (0.32) KDM4EL3MBTL1MMP13MEN1KMT2A

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