SCHEMBL8311524

SCHEMBL8311524

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nsnc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TXNRD1 Q16881 1/20 0.55
▸ TXNRD3 Q86VQ6 1/20 0.55
▸ TXNRD2 Q9NNW7 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.52
▸ PKM P14618 1/20 0.51
▸ NFKBIA P25963 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ EDNRA P25101 1/20 0.48
▸ IDH1 O75874 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 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
SCHEMBL8315398 0.87 TXNRD1 (0.56) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL8316242 0.84 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL6762244 0.83 TXNRD1 (0.59) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL8313728 0.80 MEN1 (0.57) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL8313260 0.79 L3MBTL1 (0.64) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL7571585 0.78 ALDH1A1 (0.66) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL7571566 0.78 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL95317 0.78 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL7580547 0.78 IDH1 (0.71) SMN1; SMN2L3MBTL1IDH1
SCHEMBL7572373 0.77 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1

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
Send feedback