SCHEMBL9064002

SCHEMBL9064002

Cc1noc(N)c1C.Cc1noc(NS(=O)(=O)c2cc3ccccc3s2)c1C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.51
EDNRB P24530 6/20 0.51
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6151716 0.93 EDNRA (0.58) EDNRAEDNRB
SCHEMBL6151362 0.70 EDNRA (0.70) EDNRAEDNRB
SCHEMBL4631390 0.70 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6151572 0.70 EDNRA (0.58) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL6968888 0.70 EDNRA (0.76) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL7346002 0.70 EDNRA (0.76) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL6767337 0.70 EDNRA (0.76) EDNRAEDNRB
SCHEMBL7716850 0.69 EDNRA (1.00) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL4632030 0.69 EDNRA (0.60) EDNRAEDNRBMEN1CYP2C9TSHR
SCHEMBL10143539 0.69 CA2 (0.49) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 WO disclosed