SCHEMBL29755488

SCHEMBL29755488

Fc1cc(C(F)(F)F)ccc1-c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
FEN1 P39748 6/20 0.43
ALOX5AP P20292 5/20 0.43
HSD11B1 P28845 1/20 0.39
IDO1 P14902 1/20 0.38
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
FPR2 P25090 2/20 0.38
CBFB Q13951 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
APP P05067 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL18988980 1.00 MPL (0.44) MPLMRGPRX4FEN1ALOX5APHSD11B1
SCHEMBL7025833 0.83 FEN1 (0.37) MPLMRGPRX4FEN1ALOX5APHSD11B1
SCHEMBL27481658 0.82 MRGPRX4 (0.43) MRGPRX4FEN1ALOX5APMTORADK
SCHEMBL1688439 0.79 CASP6 (0.47) MTORADKNISCH
SCHEMBL2552798 0.77 PDE4A (0.41) MRGPRX4FEN1ALOX5APFPR2CBFB
SCHEMBL15082480 0.76 NISCH (0.55) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL8541383 0.76 KMO (0.43) IDO1MTORADKNISCHCSNK1A1
SCHEMBL8536469 0.76 CSNK1A1 (0.41) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL8536056 0.76 MC4R (0.49) FEN1ALOX5APMTORADKNISCH
SCHEMBL772274 0.75 NISCH (0.58) MRGPRX4MTORADKNISCHFPR2

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
CN-115181067-A Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-10-14 CN disclosed
CN-108430976-B Arylpyrazole compound and pest control agent 日本曹达株式会社 2022-07-05 CN disclosed