SCHEMBL17522752

SCHEMBL17522752

CCN(CCC#N)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
INSR P06213 3/20 0.44
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
APP P05067 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PDK1 Q15118 1/20 0.39
DYRK1A Q13627 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL21357710 1.00 MAPT (0.44) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL29879768 1.00 MAPT (0.44) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL18194201 0.91 MAPT (0.41) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL16094842 0.90 MAPT (0.41) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL16094843 0.90 MAPT (0.41) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL22853482 0.89 MAPT (0.47) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL9309167 0.89 MAPT (0.51) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL9310865 0.89 MAPT (0.51) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL2770179 0.88 MAPT (0.46) MAPTINSRKMT2ASMN1; SMN2NPC1
SCHEMBL2770177 0.88 MAPT (0.46) MAPTINSRKMT2ASMN1; SMN2NPC1

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
US-9772321-B2 Benzothiazol-2-ylazo-phenyl compound as dye, compositions including the dye, and method of determining degree of cure of such compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-26 US disclosed
US-20160319105-A1 DYE, FILLER MADE THEREFROM, COMPOSITIONS INCLUDING THE FILLER, AND METHOD OF DETERMINING DEGREE OF CURE OF SUCH COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-11-03 US disclosed
US-20160041143-A1 BENZOTHIAZOL-2-YLAZO-PHENYL COMPOUND AS DYE, COMPOSITIONS INCLUDING THE DYE, AND METHOD OF DETERMINING DEGREE OF CURE OF SUCH COMPOSITIONS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-02-11 US disclosed