SCHEMBL7695841

SCHEMBL7695841

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.49
SNCA P37840 2/20 0.38
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.33
ALOX12 P18054 1/20 0.33
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL7685434 0.88 NOX1 (0.38) NOX1SNCAMAPTALOX15HSD17B10
SCHEMBL7690691 0.79 SNCA (0.63) NOX1SNCAMAPTMEN1KMT2A
SCHEMBL7692247 0.77 SNCA (0.45) NOX1SNCAMAPTMEN1KMT2A
SCHEMBL342918 0.73 NOX1 (0.81) NOX1SNCAMAPTMEN1KMT2A
SCHEMBL7688195 0.72 NOX1 (0.49) NOX1MAPTMEN1KMT2AALOX15
SCHEMBL7690724 0.72 MAPT (0.58) NOX1MAPTMEN1KMT2AALOX15
SCHEMBL4707754 0.66 NOX1 (0.68) NOX1SNCAMAPTMEN1KMT2A
SCHEMBL7690177 0.65 ALDH1A1 (0.36) NOX1MAPTALOX15HSD17B10
SCHEMBL4256305 0.64 CA12 (0.44) MAPTKMT2APGR
SCHEMBL7692864 0.63 NOX1 (0.39) NOX1SNCAMAPTMEN1KMT2A

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