SCHEMBL11368015

SCHEMBL11368015

O=C(O)C(Sc1nc2ccc(O)cc2s1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.65
MAOB P27338 5/20 0.48
MAPT P10636 1/20 0.48
SNCA P37840 1/20 0.48
SCD O00767 1/20 0.47
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
HSD17B1 P14061 4/20 0.46
HSD17B2 P37059 4/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11368265 0.86 PPARA (0.82) PPARAMAPTDYRK1ANPC1
SCHEMBL7322651 0.85 PPARA (0.72) PPARAMAPTMEN1NPC1KMT2A
SCHEMBL11395961 0.85 PPARA (0.49) PPARAMAOBMAPTSNCAMEN1
SCHEMBL11387996 0.83 MAOB (0.51) PPARAMAOBMAPTSNCASCD
SCHEMBL11366252 0.83 PPARA (0.60) PPARAMAPTSCDMEN1NPC1
SCHEMBL7324620 0.82 PDK1 (0.60) PPARAMAPTDYRK1AMEN1NPC1
SCHEMBL11393160 0.80 PPARA (0.72) PPARAMAPTMEN1NPC1KMT2A
SCHEMBL11398625 0.79 PPARA (0.61) PPARAMAPTSCD
SCHEMBL7331187 0.79 PPARA (1.00) PPARAMAPTMEN1NPC1KMT2A
SCHEMBL11370453 0.79 PPARA (0.74) PPARADYRK1AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4294839-A Benzothiazole derivatives and pharmaceutical formulations containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-10-13 US disclosed
EP-0030632-A2 Benzothiazole derivatives, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1981-06-24 EP disclosed