SCHEMBL7690691

SCHEMBL7690691

COc1ccc2c(c1)SC(C#N)=C(C)N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 4/20 0.63
MEN1 O00255 4/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 4/20 0.54
NOX1 Q9Y5S8 3/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO1 P15559 1/20 0.35
ALOX12 P18054 1/20 0.35
PDE3B Q13370 2/20 0.33

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
SCHEMBL7692247 0.83 SNCA (0.45) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL7685864 0.82 SNCA (0.59) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL7692046 0.82 SNCA (0.59) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL7695841 0.79 NOX1 (0.49) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL7690172 0.79 NOX1 (0.41) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL3489840 0.77 SNCA (1.00) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL29636455 0.77 SNCA (1.00) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL17289246 0.73 SNCA (0.83) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL4080414 0.70 NOX1 (1.00) SNCAMEN1MAPTKMT2ANOX1
SCHEMBL7685434 0.70 NOX1 (0.38) SNCAMAPTNOX1ALDH1A1ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002539202-A 2002-11-19 JP claimed
EP-1163233-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-12-19 EP claimed
WO-2000055147-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-09-21 WO claimed
EP-1163233-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-12-19 EP disclosed
WO-2000055147-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-09-21 WO disclosed