SCHEMBL8313728

SCHEMBL8313728

Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3nsnc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ EDNRA P25101 1/20 0.49
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ATIC P31939 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PTPN1 P18031 3/20 0.43
▸ HSPD1 P10809 2/20 0.43
▸ PTPN2 P17706 2/20 0.43
▸ PTPN5 P54829 2/20 0.43

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
SCHEMBL8316197 0.83 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL8317641 0.81 EDNRA (0.52) MEN1KMT2ASMN1; SMN2GAAEDNRA
SCHEMBL8311524 0.80 MEN1 (0.56) MEN1KMT2ASMN1; SMN2GAAEDNRA
SCHEMBL6764847 0.79 PIK3CD (0.68) MEN1KMT2ASMN1; SMN2GAAPIK3CD
SCHEMBL8315398 0.76 TXNRD1 (0.56) MEN1KMT2ASMN1; SMN2EDNRAMAPT
SCHEMBL6762244 0.76 TXNRD1 (0.59) MEN1KMT2APIK3CDPIK3CAPIK3CB
SCHEMBL8313260 0.72 L3MBTL1 (0.64) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8315471 0.71 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2EDNRAPIK3CD
SCHEMBL7949358 0.70 EDNRA (0.59) MEN1KMT2ASMN1; SMN2GAAEDNRA
SCHEMBL25306302 0.69 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2GAAALDH1A1

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-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 — — EP disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 — — US disclosed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 — — EP disclosed
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