SCHEMBL7692247

SCHEMBL7692247

CC1=C(C#N)Sc2cc(OC(F)(F)F)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.45
CES1 P23141 1/20 0.39
TRPA1 O75762 3/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 2/20 0.37
NOX1 Q9Y5S8 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX12 P18054 1/20 0.34

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 0.83 SNCA (0.63) SNCAMEN1MAPTKMT2AMAPK1
SCHEMBL7695841 0.77 NOX1 (0.49) SNCADHODHMEN1MAPTKMT2A
SCHEMBL7690172 0.75 NOX1 (0.41) SNCAMEN1MAPTKMT2AMAPK1
SCHEMBL7690724 0.71 MAPT (0.58) DHODHMEN1MAPTKMT2AGAA
SCHEMBL7685864 0.69 SNCA (0.59) SNCAMEN1MAPTKMT2AMAPK1
SCHEMBL7930644 0.69 CES1 (0.40) CES1TRPA1SCN5ASCN9ADHODH
SCHEMBL7685434 0.69 NOX1 (0.38) SNCAMAPTNOX1ALOX15HSD17B10
SCHEMBL16268917 0.68 RET (0.44) SNCACES1MEN1MAPTKMT2A
SCHEMBL7692046 0.67 SNCA (0.59) SNCAMEN1MAPTKMT2AMAPK1
SCHEMBL7688195 0.66 NOX1 (0.49) MEN1MAPTKMT2AGAANOX1

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