SCHEMBL8718178

SCHEMBL8718178

O=[N+]([O-])c1ccccc1NCCOCCOCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KAT2B Q92831 2/20 0.62
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
CASP7 P55210 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDO1 P14902 1/20 0.48

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
SCHEMBL9820324 0.91 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL6595723 0.89 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL21071015 0.89 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL563131 0.89 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL23908174 0.88 KAT2B (0.60) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL22162521 0.88 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL29154843 0.88 RAB9A (0.56) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL28905485 0.87 RAB9A (0.63) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL6198859 0.86 KAT2B (0.80) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL762770 0.85 MAPT (0.68) MAPTNPC1RAB9ASMN1; SMN2KAT2B

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-5708123-A FOR USE IN DEVICES WITH AN ELECTROCHROMIC DISPLAY OR ANOTHER ELECTROCHROMIC COLOR CHANGE OR IN BATTERIES NKT RESEARCH CENTER A/S (DK) 1998-01-13 US disclosed
EP-0702684-A1 ELECTROACTIVE MATERIALS, A PROCESS FOR THEIR PREPARATION AS WELL AS THE USE THEREOF NKT RESEARCH CENTER A/S (DK) 1996-03-27 EP disclosed
WO-1994029314-A1 ELECTROACTIVE MATERIALS, A PROCESS FOR THEIR PREPARATION AS WELL AS THE USE THEREOF NKT RESEARCH CENTER A/S (DK) 1994-12-22 WO disclosed