SCHEMBL7843075

SCHEMBL7843075

Cc1ccc(C(=O)C(Cc2ccc(C(C)(C)C)cc2)=C(C(=O)O)c2ccc3nsnc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EDNRA P25101 1/20 0.46

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
SCHEMBL7843071 1.00 MEN1 (0.48) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7843723 0.93 MEN1 (0.49) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7843726 0.93 MEN1 (0.49) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7840465 0.93 EDNRA (0.52) EDNRA
SCHEMBL7840466 0.93 EDNRA (0.52) EDNRA
SCHEMBL8153827 0.90 EDNRA (0.58) EDNRA
SCHEMBL8153823 0.90 EDNRA (0.58) EDNRA
SCHEMBL7845350 0.90 MEN1 (0.47) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7845354 0.90 MEN1 (0.47) MEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL7842154 0.89 EDNRA (0.49) EDNRA

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 1 patent. 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