SCHEMBL6162367

SCHEMBL6162367

CCc1c(N)ccc(Cl)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.37
TSHR P16473 6/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.32
ADORA2A P29274 1/20 0.31
CD44 P16070 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
SCHEMBL215981 0.84 NOS3 (0.41) CYP3A4TSHRTP53ALDH1A1MAPK1
SCHEMBL30117633 0.84 NOS3 (0.41) CYP3A4TSHRTP53ALDH1A1MAPK1
SCHEMBL3871396 0.84 ALDH1A1 (0.39) CYP3A4TSHRTP53ALDH1A1MAPK1
SCHEMBL3669302 0.84 CYP3A4 (0.35) CYP3A4TSHRTP53ALDH1A1MAPK1
SCHEMBL3871164 0.82 TAAR1 (0.35) CYP3A4TSHRTP53ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL10711080 0.82 TAAR1 (0.35) CYP3A4TSHRTP53TAAR1NOS3
Hydrochloric Acid SCHEMBL4662390 0.82 NOS3 (0.39) CYP3A4TSHRTP53ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9640854 0.82 NOS3 (0.39) CYP3A4TSHRTP53ALDH1A1MAPK1
SCHEMBL20079594 0.80 CYP3A4 (0.33) CYP3A4TSHRTP53ALDH1A1MAPK1
Hydroxyamine SCHEMBL28193821 0.79 NOS3 (0.38) CYP3A4TSHRTP53ALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748540-B2 Compositions comprising solvated aromatic amines and methods for the preparation thereof Crosslink Technology, Inc 2014-06-10 US claimed
EP-1504070-A1 ACRYLIC STRUCTURAL ADHESIVE HAVING IMPROVED T-PEEL STRENGTH Lord Corporation (US) 2005-02-09 EP claimed
WO-2003097756-A1 ACRYLIC STRUCTURAL ADHESIVE HAVING IMPROVED T-PEEL STRENGTH LORD CORPORATION (US) 2003-11-27 WO claimed
EP-0252603-A2 Adhesives for ceramics and processes for the bonding of ceramics using same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-13 EP disclosed