SCHEMBL7685864

SCHEMBL7685864

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.59
▸ NOX1 Q9Y5S8 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ USP8 P40818 2/20 0.32
▸ PDE3B Q13370 2/20 0.31
▸ PDE3A Q14432 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7690691 0.82 SNCA (0.63) SNCANOX1SMN1; SMN2MEN1LMNA
SCHEMBL7692864 0.81 NOX1 (0.39) SNCANOX1MEN1MAPTKMT2A
SCHEMBL7692046 0.78 SNCA (0.59) SNCANOX1SMN1; SMN2MEN1LMNA
SCHEMBL3489840 0.74 SNCA (1.00) SNCANOX1SMN1; SMN2MEN1LMNA
SCHEMBL29636455 0.74 SNCA (1.00) SNCANOX1SMN1; SMN2MEN1LMNA
SCHEMBL7692247 0.69 SNCA (0.45) SNCANOX1SMN1; SMN2MEN1LMNA
SCHEMBL7931902 0.68 KDM4E (0.52) SNCAMEN1GAAMAPTKMT2A
SCHEMBL17289246 0.67 SNCA (0.83) SNCANOX1SMN1; SMN2MEN1LMNA
SCHEMBL4080414 0.67 NOX1 (1.00) SNCANOX1SMN1; SMN2MEN1LMNA
SCHEMBL7664911 0.66 SNCA (0.80) SNCANOX1SMN1; SMN2MEN1LMNA

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
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