SCHEMBL28199128

SCHEMBL28199128

CCS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cn[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
ALOX5AP P20292 7/20 0.43
FEN1 P39748 7/20 0.43
NPBWR1 P48145 1/20 0.42
SCN9A Q15858 7/20 0.42
DDR1 Q08345 2/20 0.40

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
SCHEMBL3401500 0.73 ROCK2 (0.45) ROCK2ROCK1ALOX5APFEN1NPBWR1
SCHEMBL18843187 0.73 ALOX5AP (0.40) ALOX5APFEN1DDR1
SCHEMBL3399167 0.73 ALOX5AP (0.49) ROCK2ROCK1ALOX5APFEN1NPBWR1
SCHEMBL18843004 0.73 ALOX5AP (0.43) ALOX5APFEN1DDR1
SCHEMBL18785058 0.71 ALOX5AP (0.49) ALOX5APFEN1DDR1
SCHEMBL21778754 0.71 ALOX5AP (0.47) ALOX5APFEN1DDR1
SCHEMBL18908792 0.71 LMNA (0.49) ALOX5APFEN1DDR1
SCHEMBL17664568 0.70 PTGDR2 (0.40) ALOX5APFEN1DDR1
SCHEMBL18751256 0.70 TP53 (0.44) ALOX5APFEN1DDR1
SCHEMBL20526040 0.70 DDR1 (0.39) ALOX5APFEN1DDR1

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
CN-107635967-A Diaryl azole compound and pest control agent 日本曹达株式会社 2018-01-26 CN disclosed