SCHEMBL8653448

SCHEMBL8653448

CC(=O)c1sccc1S(=O)(=O)Nc1cc2c(cc1C)OCO2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 16/20 0.59
▸ EDNRB P24530 15/20 0.59
▸ ABCC3 O15438 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KLK7 P49862 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6313203 0.75 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL4631823 0.75 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL7947366 0.73 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL13665431 0.73 NPC1 (0.60) EDNRAEDNRBALDH1A1KDM4EL3MBTL1
SCHEMBL5211709 0.72 EDNRA (1.00) EDNRAEDNRB
SCHEMBL471080 0.71 MAPT (0.57) EDNRAEDNRBALDH1A1KDM4ETSHR
SCHEMBL4631821 0.71 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6313421 0.70 EDNRA (0.66) EDNRAEDNRBALDH1A1LMNAKDM4E
SCHEMBL7946892 0.70 EDNRA (0.49) EDNRAEDNRBABCC3ABCC4ABCB11
SCHEMBL6151306 0.70 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4ABCB11

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-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 — — EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 — — WO disclosed
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