SCHEMBL8535606

SCHEMBL8535606

NC(=O)c1ccc2sc(-c3ccc(N)cc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
KDM4E B2RXH2 5/20 0.68
GAA P10253 5/20 0.68
ALDH1A1 P00352 3/20 0.68
POLB P06746 3/20 0.68
NFKB1 P19838 3/20 0.68
NFKB2 Q00653 3/20 0.68
RELA Q04206 3/20 0.68
GFER P55789 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
HPGD P15428 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MITF O75030 1/20 0.64
RECQL P46063 1/20 0.64
PAX8 Q06710 1/20 0.64
KLF5 Q13887 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.61

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
SCHEMBL8534417 0.90 MAPT (0.79) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL15223714 0.87 MAPT (0.66) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL12392440 0.84 MAPT (0.61) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL18792827 0.84 MAPT (0.61) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL5766578 0.82 RAB9A (0.58) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL8122840 0.82 SENP7 (0.57) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL29918176 0.81 MAPT (1.00) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL6399498 0.81 MAPT (1.00) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL21708400 0.80 NPC1 (0.66) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL13391563 0.79 APP (0.77) MAPTNPC1RAB9AKDM4EGAA

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
EP-0581245-B1 Water-insoluble azo colouring agents CLARIANT GMBH (DE) 1998-12-23 EP disclosed
US-5428136-A Water-insoluble azo colorants having two azo groups and a 1,4-bis (acetoacetylamino) benzene coupling component HOECHST AG (DE) 1995-06-27 US disclosed
EP-0581245-A1 Water-insoluble azo colouring agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 EP disclosed
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed