SCHEMBL9064045

SCHEMBL9064045

Cc1noc(-c2cccnc2S(N)(=O)=O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.41
EDNRB P24530 16/20 0.41

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
SCHEMBL9065654 0.74 EDNRB (0.50) EDNRAEDNRB
SCHEMBL14120534 0.69 CA2 (0.45)
SCHEMBL6151353 0.68 CA2 (0.51) EDNRAEDNRB
SCHEMBL1203236 0.68 CA1 (0.33)
SCHEMBL6151298 0.67 CA2 (0.46) EDNRAEDNRB
SCHEMBL27466199 0.67 CA2 (0.52) EDNRAEDNRB
SCHEMBL3636398 0.67 NOS3 (0.48)
SCHEMBL8724464 0.66 KCNH2 (0.49)
SCHEMBL6151081 0.66 PTGS2 (0.51) EDNRAEDNRB
SCHEMBL31527719 0.66 KMT2A (0.49)

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