SCHEMBL2821567

SCHEMBL2821567

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.33
GAA P10253 2/20 0.33
P2RX7 Q99572 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 3/20 0.31
SLC26A6 Q9BXS9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.30
POLB P06746 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
SCHEMBL2819777 0.87 MMP13 (0.31) MMP13GAATNKSPARP1TNKS2
SCHEMBL2851123 0.87 KDM4E (0.34) MMP13GAATNKSPARP1TNKS2
SCHEMBL2822078 0.87 MMP13 (0.37) MMP13GAAP2RX7TNKSPARP1
SCHEMBL2823051 0.86 MMP13 (0.34) MMP13GAAP2RX7TNKSPARP1
SCHEMBL2820566 0.86 MMP13 (0.32) MMP13GAATNKSPARP1TNKS2
SCHEMBL2819552 0.86 KDM4E (0.32) MMP13GAATNKSPARP1TNKS2
SCHEMBL2821636 0.85 GAA (0.36) MMP13GAAP2RX7TNKSPARP1
SCHEMBL2820995 0.84 KDM4E (0.32) MMP13GAATNKSPARP1TNKS2
SCHEMBL23652699 0.83 MMP13 (0.35) MMP13GAAP2RX7TNKSPARP1
SCHEMBL2821593 0.83 MMP13 (0.33) MMP13GAAP2RX7TNKSPARP1

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-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed
US-7022855-B2 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed