SCHEMBL2844508

SCHEMBL2844508

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGFR P43088 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
SCHEMBL28422923 0.86 CASP3 (0.32) KDM4EALDH1A1
SCHEMBL2820048 0.85 MMP13 (0.37) KDM4EALDH1A1
SCHEMBL2823483 0.82 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL2823352 0.74 PDE2A (0.31)
SCHEMBL2819656 0.74 ALDH1A1 (0.36) KDM4EALDH1A1L3MBTL1
SCHEMBL2819998 0.73 P2RX7 (0.32) ALDH1A1LMNAL3MBTL1
SCHEMBL2820325 0.72 TSHR (0.40) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL2821980 0.72 RAB9A (0.35)
SCHEMBL2820985 0.71 MMP13 (0.34) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL2822078 0.71 MMP13 (0.37) KDM4EALDH1A1L3MBTL1

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