SCHEMBL11368265

SCHEMBL11368265

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

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.82
ACP1 P24666 1/20 0.49
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
DYRK1A Q13627 1/20 0.43
FSCN1 Q16658 1/20 0.43
PPARG P37231 2/20 0.43

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
SCHEMBL7331187 0.90 PPARA (1.00) PPARANPC1MAPT
SCHEMBL11368015 0.86 PPARA (0.65) PPARANPC1MAPTDYRK1A
SCHEMBL7324522 0.86 PPARA (0.76) PPARAMAPT
SCHEMBL11397881 0.85 PPARA (0.61) PPARANPC1MAPT
SCHEMBL7322651 0.84 PPARA (0.72) PPARANPC1MAPT
SCHEMBL7325252 0.84 PPARA (0.88) PPARA
SCHEMBL11366252 0.82 PPARA (0.60) PPARAACP1NPC1MAPT
SCHEMBL7324620 0.81 PDK1 (0.60) PPARAACP1NPC1MAPTDYRK1A
SCHEMBL11359594 0.81 PPARA (0.82) PPARA
SCHEMBL7325872 0.81 PPARA (0.82) PPARANPC1MAPT

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