SCHEMBL24046331

SCHEMBL24046331

CCN(CCC#N)c1ccc(N=Nc2snc3ccc([N+](=O)[O-])cc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KDR P35968 1/20 0.36
CRHR1 P34998 2/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
PIK3CD O00329 2/20 0.30
PIK3CA P42336 2/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL24046226 0.92 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL24046231 0.90 KDR (0.39) ALDH1A1MAPTKMT2AKDRTP53
SCHEMBL24046229 0.90 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL12954932 0.89 MAPT (0.41) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL24046304 0.89 MAPT (0.41) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL24046435 0.88 MAPT (0.37) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL14206915 0.87 MAPT (0.34) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL24046326 0.84 POLB (0.45) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL18179596 0.84 KDR (0.44) ALDH1A1MAPTKMT2AKDRTP53
SCHEMBL24046328 0.84 MAPT (0.37) ALDH1A1MAPTKMT2AKDM4EGAA

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-20210363353-A1 Method for Improving Alkali Resistance and Oxidation Resistance of Benzisothiazole Disperse Dye Penglai Jiaxin Dye Chemical Co., LTD (CN) 2021-11-25 US disclosed