SCHEMBL18156542

SCHEMBL18156542

CNc1cccc(C(=O)Nc2c(Br)cc(C(C)(F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 12/20 0.39
BRAF P15056 1/20 0.37
CTSS P25774 1/20 0.35
LCK P06239 2/20 0.35
MAPK14 Q16539 2/20 0.35
KDR P35968 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.34

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
SCHEMBL29634361 0.91 SMN1; SMN2 (0.43) SMN1; SMN2RXFP1BRAFCTSSLCK
SCHEMBL1766396 0.91 SMN1; SMN2 (0.43) SMN1; SMN2RXFP1BRAFCTSSLCK
SCHEMBL20176668 0.88 RXFP1 (0.46) SMN1; SMN2RXFP1
SCHEMBL18156558 0.87 PTGS1 (0.41) SMN1; SMN2RXFP1CTSS
SCHEMBL23048342 0.84 SMN1; SMN2 (0.37) SMN1; SMN2RXFP1BRAFTAS2R14
SCHEMBL2240566 0.83 RXFP1 (0.41) SMN1; SMN2RXFP1
SCHEMBL29161174 0.81 SMN1; SMN2 (0.44) SMN1; SMN2RXFP1CTSSTAS2R14
SCHEMBL12440630 0.80 RXFP1 (0.41) SMN1; SMN2RXFP1BRAFCTSSLCK
SCHEMBL1767106 0.80 RXFP1 (0.39) SMN1; SMN2RXFP1BRAF
SCHEMBL28629194 0.80 SMN1; SMN2 (0.41) SMN1; SMN2RXFP1CTSS

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-3081552-A1 PEST CONTROL AGENT CONTAINING AN AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT Mitsui Chemicals Agro, Inc. (JP) 2016-10-19 EP disclosed