SCHEMBL7843723

SCHEMBL7843723

CC(C)(C)c1ccc(C/C(C(=O)c2ccccc2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EDNRA P25101 1/20 0.47

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
SCHEMBL7843726 1.00 MEN1 (0.49) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7843075 0.93 MEN1 (0.48) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7843071 0.93 MEN1 (0.48) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL8153912 0.91 EDNRA (0.58) EDNRA
SCHEMBL8153913 0.91 EDNRA (0.58) EDNRA
SCHEMBL7840515 0.90 EDNRA (0.60) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7830979 0.90 MEN1 (0.46) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7840516 0.90 EDNRA (0.60) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7830981 0.90 MEN1 (0.46) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7840358 0.90 MEN1 (0.49) MEN1KMT2ASMN1; SMN2EDNRA

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-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP 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