SCHEMBL8917217

SCHEMBL8917217

C=CCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c(N(C)CC=C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.46
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 4/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
GAA P10253 2/20 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
SCHEMBL8917221 1.00 MMP14 (0.46) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL8612280 0.88 MAPT (0.57) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL876382 0.87 MMP14 (0.57) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL876383 0.87 MMP14 (0.57) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL887932 0.81 MMP14 (0.52) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL8641019 0.81 MMP14 (0.44) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL876446 0.78 MAPT (0.57) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL8611566 0.78 MAPT (0.44) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL3263007 0.76 MMP14 (0.47) MMP14MAPTALDH1A1MEN1KMT2A
SCHEMBL3263010 0.76 MMP14 (0.47) MMP14MAPTALDH1A1MEN1KMT2A

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-5663308-A DYES CONTAINING ELECTRON DONOR/ACEPTOR GROUPS LINKED BY DELOCALIZED PI ELECTRON SYSTEM AND TWO OR MORE PENDANT GROUPS HERCULES INCORPORATED (US) 1997-09-02 US disclosed
US-5298588-A Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1994-03-29 US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed