SCHEMBL8553832

SCHEMBL8553832

N#Cc1cc(Oc2ccnc(C#N)c2)nc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
KIF11 P52732 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
KDR P35968 2/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
TOP1 P11387 1/20 0.36
BRAF P15056 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
SCN9A Q15858 2/20 0.35

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
SCHEMBL8553275 0.88 GRM5 (0.41) TRPV1KIF11CTSSCTSKKDR
SCHEMBL8552904 0.86 TRPV1 (0.39) TRPV1KIF11CTSSCTSKKDR
SCHEMBL8552758 0.85 KIF11 (0.42) TRPV1KIF11CTSSCTSKSCN9A
SCHEMBL8548872 0.83 POLB (0.43) TRPV1KIF11CTSSCTSKKDM4E
SCHEMBL8549675 0.81 ADORA1 (0.46) TRPV1KIF11CTSSCTSKSCN9A
SCHEMBL8550852 0.79 KIF11 (0.39) TRPV1KIF11CTSSCTSKSCN9A
SCHEMBL8552573 0.78 TRPV1 (0.37) TRPV1KIF11CTSSCTSKSCN9A
SCHEMBL16013131 0.77 CTSS (0.49) KIF11CTSSCTSKKDM4ESMN1; SMN2
SCHEMBL8546808 0.77 POLB (0.43) KIF11CTSSCTSKKDM4ELMNA
SCHEMBL8549067 0.77 CTSS (0.45) CTSSCTSKKDM4ESCN9A

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