SCHEMBL11577863

SCHEMBL11577863

CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
MMP14 P50281 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 7/20 0.39
VCAM1 P19320 1/20 0.38
KDR P35968 1/20 0.37
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL11577864 1.00 MAPT (0.45) MAPTLMNAKMT2APOLBGAA
SCHEMBL29710755 0.95 MAPT (0.50) MAPTLMNAKMT2APOLBGAA
SCHEMBL5047664 0.84 MAPT (0.35) MAPTLMNAKMT2APOLBGAA
SCHEMBL5044636 0.84 MAPT (0.35) MAPTLMNAKMT2APOLBGAA
SCHEMBL7717321 0.84 POLB (0.58) MAPTLMNAKMT2APOLBGAA
SCHEMBL820799 0.84 LMNA (0.42) MAPTLMNAKMT2APOLBGAA
SCHEMBL820800 0.84 LMNA (0.42) MAPTLMNAKMT2APOLBGAA
SCHEMBL17305935 0.83 MAPT (0.37) MAPTLMNAKMT2APOLBGAA
SCHEMBL12955157 0.83 S100B (0.39) MAPTLMNAKMT2APOLBGAA
SCHEMBL13905097 0.83 S100B (0.39) MAPTLMNAKMT2APOLBGAA

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-4105653-A HETERYL-AZO-PHENYL DISPERSE DYESTUFFS CONTAINING A Z-SUBSTITUTED BENZOLYLOXYALKYL RADICAL, WHEREIN Z IS 2-CYANOVINYL 2-CYANOETHYL OR 2-CHLORO-2-CYANOETHYL PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-08-08 US disclosed
US-4085099-A AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-04-18 US disclosed
US-3987027-A DISPERSE AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-10-19 US disclosed