SCHEMBL2822987

SCHEMBL2822987

C=COC(=O)Oc1c(C)c(CC)nc2ccc(F)c(F)c12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP13 P45452 2/20 0.31
P2RX7 Q99572 1/20 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
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2823032 0.86 THRB (0.34) KDM4EL3MBTL1MMP13TNKSPARP1
SCHEMBL2822078 0.86 MMP13 (0.37) KDM4EL3MBTL1MMP13P2RX7TNKS
SCHEMBL2851123 0.86 KDM4E (0.34) KDM4EL3MBTL1MMP13TNKSPARP1
SCHEMBL2820199 0.86 MMP13 (0.31) MMP13TNKSPARP1TNKS2
SCHEMBL2823051 0.83 MMP13 (0.34) KDM4EL3MBTL1MMP13P2RX7TNKS
SCHEMBL2819552 0.83 KDM4E (0.32) KDM4EL3MBTL1MMP13TNKSPARP1
SCHEMBL2820995 0.83 KDM4E (0.32) KDM4EL3MBTL1MMP13TNKSPARP1
SCHEMBL2821636 0.82 GAA (0.36) KDM4EL3MBTL1MMP13P2RX7TNKS
SCHEMBL2820542 0.81 KDM4E (0.31) KDM4EL3MBTL1MMP13TNKSPARP1
SCHEMBL23652699 0.81 MMP13 (0.35) KDM4EL3MBTL1MMP13P2RX7TNKS

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