SCHEMBL18194201

SCHEMBL18194201

N#CCCN(CO)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
INSR P06213 3/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
APP P05067 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
ACP1 P24666 1/20 0.37
APOBEC3A P31941 1/20 0.36

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
SCHEMBL16094843 0.94 MAPT (0.41) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL16094842 0.94 MAPT (0.41) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL29879768 0.91 MAPT (0.44) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL17522752 0.91 MAPT (0.44) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL21357710 0.91 MAPT (0.44) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL17522751 0.88 MAPT (0.46) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL16124940 0.86 MAPT (0.40) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL5943667 0.86 MAPT (0.40) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL19380304 0.86 MAPT (0.39) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL17522750 0.86 MAPT (0.39) MAPTINSRKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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