SCHEMBL8570767

SCHEMBL8570767

Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N\C(=O)O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
SCN2B O60939 2/20 0.42
SCN1B Q07699 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
POLB P06746 1/20 0.42
SCN1A P35498 1/20 0.41
HTT P42858 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
KMT2A Q03164 2/20 0.40
TNF P01375 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8570769 1.00 NOTUM (0.45) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL8566821 0.85 NOTUM (0.40) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL8566820 0.85 NOTUM (0.40) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL4852106 0.77 NOTUM (0.46) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL4852112 0.77 NOTUM (0.46) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL8569284 0.76 HTT (0.44) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL8600285 0.74 SCN2B (0.39) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL8600287 0.74 SCN2B (0.39) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL8568280 0.72 LMNA (0.42) NOTUMSCN2BSCN1BSCN5ASCN9A
SCHEMBL8568283 0.72 LMNA (0.42) NOTUMSCN2BSCN1BSCN5ASCN9A

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
WO-1998000408-A1 N-PHENYLIMINO HETEROCYCLIC DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1998-01-08 WO disclosed