SCHEMBL2820995

SCHEMBL2820995

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP13 P45452 2/20 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
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
SCHEMBL2851123 0.92 KDM4E (0.34) KDM4EALDH1A1L3MBTL1SMN1; SMN2MMP13
SCHEMBL2822078 0.87 MMP13 (0.37) KDM4EALDH1A1L3MBTL1MMP13TNKS
SCHEMBL2820542 0.87 KDM4E (0.31) KDM4EALDH1A1L3MBTL1MMP13TNKS
SCHEMBL2821942 0.86 EGFR (0.33) KDM4EALDH1A1L3MBTL1SMN1; SMN2MMP13
SCHEMBL2823051 0.84 MMP13 (0.34) KDM4EALDH1A1L3MBTL1SMN1; SMN2MMP13
SCHEMBL2819552 0.84 KDM4E (0.32) KDM4EALDH1A1L3MBTL1MMP13TNKS
SCHEMBL2824380 0.84 NMT2 (0.37)
SCHEMBL2823009 0.84
SCHEMBL2821567 0.84 MMP13 (0.33) KDM4EALDH1A1L3MBTL1MMP13TNKS
SCHEMBL2821636 0.83 GAA (0.36) KDM4EALDH1A1L3MBTL1SMN1; SMN2MMP13

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