SCHEMBL8613470

SCHEMBL8613470

C=CCN(CC=C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)c(OC(=O)C=C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MMP14 P50281 1/20 0.39
TDP1 Q9NUW8 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 2/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
HSP90AA1 P07900 1/20 0.34
CDC25C P30307 1/20 0.34
LSS P48449 2/20 0.33

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
SCHEMBL8616387 0.82 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8611566 0.80 MAPT (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8641019 0.80 MMP14 (0.44) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL3263007 0.79 MMP14 (0.47) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL3263010 0.79 MMP14 (0.47) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL19396760 0.74 MMP14 (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL9358085 0.72 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8611406 0.72 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL15003865 0.72 MMP14 (0.39) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL622489 0.72 MMP14 (0.47) MEN1KMT2AALDH1A1MAPTHTT

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-5714304-A AN ORGANOSILICON CROSSLINKED POLYMER IS THE REACTION PRODUCT OF ATLEAST ONE CYCLIC POLYSILOXANE HAVING ATLEAST TWO HYDROSILATION REACTIVE GROUPS, AN ORGANIC DYE WITH ELECTRON ACCEPTOR AND DONOR GROUPS WITH DOUBLE BOND, AND A POLYENE HERCULES INCORPORATED (US) 1998-02-03 US disclosed
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