SCHEMBL7838632

SCHEMBL7838632

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 6/20 0.42
NPC1 O15118 5/20 0.42
MEN1 O00255 5/20 0.42
RAB9A P51151 4/20 0.40
MAPT P10636 7/20 0.40
LMNA P02545 4/20 0.40
F2 P00734 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 3/20 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
SCHEMBL7840868 0.91 KMT2A (0.54) L3MBTL1KDM4EGAAHSD17B10POLB
SCHEMBL7842966 0.90 MAPT (0.47) L3MBTL1KDM4EGAAHSD17B10POLB
SCHEMBL7841278 0.89 KDM4E (0.41) L3MBTL1KDM4EGAAHSD17B10POLB
SCHEMBL7842205 0.89 KDM4E (0.43) L3MBTL1KDM4EGAAHSD17B10KMT2A
SCHEMBL7843570 0.88 GAA (0.46) L3MBTL1KDM4EGAAHSD17B10KMT2A
SCHEMBL7839101 0.86 PDE4D (0.42) L3MBTL1KDM4EGAAHSD17B10POLB
SCHEMBL7841971 0.85 TAS1R3 (0.41) L3MBTL1KDM4EGAAHSD17B10KMT2A
SCHEMBL7842210 0.84 KDM4E (0.46) L3MBTL1KDM4EGAAHSD17B10KMT2A
SCHEMBL7841575 0.83 HTT (0.40) L3MBTL1KDM4EGAAHSD17B10KMT2A
SCHEMBL7840763 0.83 TAS1R3 (0.41) L3MBTL1KDM4EGAAHSD17B10KMT2A

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