SCHEMBL7690177

SCHEMBL7690177

CC1=C(C#N)Sc2c(F)cc(C(F)(F)F)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYBB P04839 1/20 0.30
NOX3 Q9HBY0 1/20 0.30
NOX4 Q9NPH5 1/20 0.30
NOX1 Q9Y5S8 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
SCHEMBL7929244 0.68 ALDH1A1 (0.32) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL7695841 0.65 NOX1 (0.49) MAPTALOX15HSD17B10NOX1
SCHEMBL15958871 0.63 TRPV4 (0.42) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL7692247 0.62 SNCA (0.45) MAPTALOX15HSD17B10NOX1
SCHEMBL27614015 0.62 CYP11B1 (0.40)
SCHEMBL28994625 0.62 TRPV4 (0.54) ALDH1A1MAPTHPGD
SCHEMBL16327958 0.59 PDE2A (0.41) ALDH1A1MAPT
SCHEMBL7688195 0.59 NOX1 (0.49) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL13868312 0.58 KDM4E (0.43) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL9314066 0.58 CYP11B1 (0.41)

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