SCHEMBL9567356

SCHEMBL9567356

CCOCn1c(-c2ccc(C(F)(F)F)cc2)c(C#N)c(Br)c1C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL5813013 0.92 KIF11 (0.35) KIF11CTSSCTSKNPC1RAB9A
SCHEMBL9389300 0.91
SCHEMBL9567374 0.89 RXFP1 (0.34) RXFP1
SCHEMBL9567355 0.87 ADORA1 (0.32)
SCHEMBL9567369 0.87 KIF11 (0.33) KIF11CTSSCTSKNPC1RAB9A
SCHEMBL28742523 0.83 MAPK14 (0.37) RXFP1
SCHEMBL9567326 0.83 RXFP1 (0.32) RXFP1
Chlorfenapyr SCHEMBL40337 0.82 RXFP1 (0.35) RXFP1
SCHEMBL9389580 0.82 AR (0.39)
Chlorfenapyr SCHEMBL28530561 0.81 RXFP1 (0.35) RXFP1

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
EP-0530147-A1 3-Cyano-2-phenyl-pyrroles as pesticides CIBA-GEIGY AG (CH) 1993-03-03 EP claimed
EP-0530147-A1 3-Cyano-2-phenyl-pyrroles as pesticides CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed