SCHEMBL11206376

SCHEMBL11206376

CCOc1nc2cccc(Cl)c2s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.47
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 5/20 0.40
HSP90AB1 P08238 5/20 0.40
ALOX5 P09917 1/20 0.39
ACACB O00763 4/20 0.39
KMT2A Q03164 1/20 0.38
F2RL3 Q96RI0 1/20 0.36

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
SCHEMBL11340443 0.82 ELANE (0.42) PTGS1PTGS2ALDH1A1HSP90AA1HSP90AB1
SCHEMBL9565665 0.79 PSMB8 (0.43) PSMB8PTGS1PTGS2HSP90AA1HSP90AB1
SCHEMBL9590384 0.76 MEN1 (0.69) ALDH1A1ALOX5KMT2A
SCHEMBL18026590 0.75 ACACB (0.47) ACACBKMT2A
SCHEMBL13824618 0.75 PSMB8 (0.51) PSMB8ALDH1A1L3MBTL1HSP90AA1HSP90AB1
SCHEMBL11334172 0.74 ALDH1A1 (0.55) PSMB8PTGS1PTGS2ALDH1A1HSP90AA1
SCHEMBL9843032 0.73 CYP3A4 (0.39) ALDH1A1L3MBTL1ALOX5ACACBKMT2A
SCHEMBL6842459 0.73 PTGS1 (0.58) PTGS1PTGS2L3MBTL1KMT2AF2RL3
SCHEMBL11347104 0.72 HSD17B10 (0.38) ALDH1A1ACACBKMT2A
SCHEMBL9585282 0.72 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1KMT2A

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-0039440-B1 MEDICINES CONTAINING SUBSTITUTED BENZOTHIAZOL-2-(3H)-ONES Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed
US-4353919-A Analgesic and antipyretic pharmaceutical compositions containing a benzothiazol-2(3H)-one DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-10-12 US disclosed
EP-0039440-A1 Medicines containing substituted benzothiazol-2-(3H)-ones Dr. Karl Thomae GmbH (DE) 1981-11-11 EP disclosed