SCHEMBL8550852

SCHEMBL8550852

N#Cc1cc(Oc2cccc(OC(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SCN9A Q15858 10/20 0.38
NTRK1 P04629 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8549675 0.89 ADORA1 (0.46) KIF11TRPV1CTSSCTSKLOXL2
SCHEMBL8552758 0.89 KIF11 (0.42) KIF11TRPV1CTSSCTSKLOXL2
SCHEMBL8548872 0.89 POLB (0.43) KIF11TRPV1CTSSCTSKLOXL2
SCHEMBL8551508 0.85 TRPV1 (0.36) KIF11TRPV1CTSSCTSKLOXL2
SCHEMBL8552573 0.83 TRPV1 (0.37) KIF11TRPV1CTSSCTSKLOXL2
SCHEMBL8546808 0.83 POLB (0.43) KIF11CTSSCTSKLOXL2SCN9A
SCHEMBL8471818 0.81 PSD (0.41) CTSSLOXL2NTRK1
SCHEMBL8552730 0.81 POLB (0.41) CTSSCTSKLOXL2NTRK1
SCHEMBL8547908 0.81 POLB (0.41) CTSSCTSKLOXL2SCN9ANTRK1
SCHEMBL8553832 0.79 TRPV1 (0.43) KIF11TRPV1CTSSCTSKSCN9A

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-0820996-A1 Herbicidal cyanopyridines American Cyanamid Company (US) 1998-01-28 EP claimed
EP-0820996-A1 Herbicidal cyanopyridines American Cyanamid Company (US) 1998-01-28 EP disclosed