SCHEMBL13417486

SCHEMBL13417486

CCCCCCCCCCCCCCCCCCCCCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
MMP14 P50281 1/20 0.46
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 3/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 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
SCHEMBL18179608 0.95 MAPT (0.51) MAPTMMP14KCNH2ALDH1A1GAA
SCHEMBL12955087 0.95 MAPT (0.51) MAPTMMP14KCNH2ALDH1A1GAA
SCHEMBL9950674 0.89 MMP14 (0.48) MAPTMMP14ALDH1A1GAAPOLB
SCHEMBL1461305 0.87 MMP14 (0.47) MAPTMMP14ALDH1A1GAAPOLB
SCHEMBL531129 0.87 MMP14 (0.47) MAPTMMP14ALDH1A1GAAPOLB
SCHEMBL17583820 0.85 MAPT (0.61) MAPTMMP14KCNH2ALDH1A1GAA
SCHEMBL17583819 0.85 MAPT (0.61) MAPTMMP14KCNH2ALDH1A1GAA
SCHEMBL9358518 0.85 MAPT (0.53) MAPTMMP14KCNH2ALDH1A1GAA
SCHEMBL13417484 0.85 MAPT (0.53) MAPTMMP14KCNH2ALDH1A1GAA
SCHEMBL9358516 0.85 MAPT (0.53) MAPTMMP14KCNH2ALDH1A1GAA

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-7674405-B2 Zeolites with incorporated dipolar nonlinear optical molecules in uniform orientation and preparation thereof Industry-University Cooperation Foundation Sogang University (KR) 2010-03-09 US disclosed