SCHEMBL7843570

SCHEMBL7843570

CCOC(=O)C(CC(=O)c1ccc(OC(C)C)cc1)c1ccc2nsnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 6/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 1/20 0.41
F2 P00734 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
RAB9A P51151 1/20 0.36
PARP10 Q53GL7 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
SCHEMBL7842966 0.89 MAPT (0.47) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7838632 0.88 L3MBTL1 (0.49) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7840868 0.86 KMT2A (0.54) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7841278 0.84 KDM4E (0.41) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7842205 0.84 KDM4E (0.43) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7839101 0.81 PDE4D (0.42) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7838638 0.80 NPC1 (0.47) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7841971 0.80 TAS1R3 (0.41) GAAKDM4EHSD17B10MAPTKMT2A
SCHEMBL7842210 0.79 KDM4E (0.46) GAAKDM4EHSD17B10KMT2AMEN1
SCHEMBL7841575 0.79 HTT (0.40) GAAKDM4EHSD17B10MAPTTP53

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-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP disclosed
US-6017939-A 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0882030-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GmbH (DE) 1998-12-09 EP disclosed
WO-1997030982-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-08-28 WO disclosed