SCHEMBL8532289

SCHEMBL8532289

COc1ccc(-c2nc3cc(S(N)(=O)=O)ccc3s2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
HCRTR1 O43613 1/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ILK Q13418 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL8535681 0.80 MAPT (0.68) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL3193055 0.79 MAPT (0.46) AHRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2241976 0.79 SMN1; SMN2 (0.71) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL1806001 0.75 CA1 (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL30629805 0.75 CA1 (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13343677 0.70 AGPAT2 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL3204643 0.70 AGPAT2 (0.41) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL11750870 0.70 APP (0.64) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL4602210 0.69 KDM4E (0.71) AHRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4804932 0.69 AHR (0.71) AHRMAPTSMN1; SMN2KDM4EALDH1A1

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
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