SCHEMBL8552758

SCHEMBL8552758

N#Cc1cccc(Oc2cc(C#N)cc(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAP4K4 O95819 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPK1 P28482 1/20 0.39
SCN9A Q15858 4/20 0.39
EPAS1 Q99814 2/20 0.38
KCNH2 Q12809 1/20 0.38
PTPN5 P54829 1/20 0.38
NTRK1 P04629 1/20 0.37
VEGFA P15692 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
SCHEMBL8548872 0.93 POLB (0.43) KIF11CTSSCTSKTRPV1LOXL2
SCHEMBL8549675 0.91 ADORA1 (0.46) KIF11CTSSCTSKTRPV1LOXL2
SCHEMBL8550852 0.89 KIF11 (0.39) KIF11CTSSCTSKTRPV1LOXL2
SCHEMBL8552573 0.87 TRPV1 (0.37) KIF11CTSSCTSKTRPV1LOXL2
SCHEMBL8546808 0.86 POLB (0.43) KIF11CTSSCTSKLOXL2MAPK1
SCHEMBL8471818 0.85 PSD (0.41) CTSSLOXL2NTRK1
SCHEMBL8553832 0.85 TRPV1 (0.43) KIF11CTSSCTSKTRPV1SCN9A
SCHEMBL8552730 0.85 POLB (0.41) CTSSCTSKLOXL2NTRK1
SCHEMBL8551508 0.85 TRPV1 (0.36) KIF11CTSSCTSKTRPV1LOXL2
SCHEMBL8547908 0.82 POLB (0.41) CTSSCTSKLOXL2SCN9ANTRK1

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