SCHEMBL7691027

SCHEMBL7691027

CCCC1=C(C#N)Sc2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.50
CYBB P04839 1/20 0.50
NOX3 Q9HBY0 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSK P43235 5/20 0.38
CTSS P25774 4/20 0.38
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL7690724 0.80 MAPT (0.58) NOX1CYBBNOX3NOX4MAPT
SCHEMBL7002208 0.73 NOX1 (0.54) NOX1CYBBNOX3NOX4MAPT
SCHEMBL4259575 0.71 CTSK (0.36) NOX1CYBBNOX3NOX4MAPT
SCHEMBL23059883 0.69 NOX1 (0.69) NOX1CYBBNOX3NOX4MAPT
Phenothiazine SCHEMBL6532335 0.68 NOX1 (1.00) NOX1CYBBNOX3NOX4MAPT
SCHEMBL29475150 0.68 NOX1 (1.00) NOX1CYBBNOX3NOX4MAPT
SCHEMBL560225 0.68 NOX1 (1.00) NOX1CYBBNOX3NOX4MAPT
SCHEMBL6999835 0.67 NOX1 (0.56) NOX1CYBBNOX3NOX4MAPT
Benzene SCHEMBL29242186 0.66 NOX1 (0.97) NOX1CYBBNOX3NOX4MAPT
SCHEMBL10193005 0.66 MAPT (0.65) NOX1CYBBNOX3NOX4MAPT

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 3 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