SCHEMBL7849765

SCHEMBL7849765

CCCCOc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
EDNRA P25101 12/20 0.65
EDNRB P24530 8/20 0.65
CYP2C9 P11712 2/20 0.62
TSHR P16473 2/20 0.62
CYP2C19 P33261 2/20 0.62
ADRA1A P35348 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL7222085 0.88 EDNRA (0.67) MEN1KMT2AEDNRAEDNRB
SCHEMBL6666893 0.79 NPC1 (0.74) MEN1KMT2ACYP2C9TSHRCYP2C19
SCHEMBL12262637 0.78 MAPT (0.86) MEN1KMT2ACYP2C9TSHRCYP2C19
SCHEMBL7856711 0.77 EDNRA (1.00) MEN1KMT2AEDNRAEDNRBCYP2C9
Sulfisoxazole SCHEMBL788644 0.77 EDNRA (1.00) MEN1KMT2AEDNRAEDNRBCYP2C9
Sulfisoxazole SCHEMBL23467 0.77 EDNRA (1.00) MEN1KMT2AEDNRAEDNRBCYP2C9
SCHEMBL7860467 0.77 EDNRA (1.00) MEN1KMT2AEDNRAEDNRBCYP2C9
SCHEMBL7716850 0.77 EDNRA (1.00) MEN1KMT2AEDNRAEDNRBCYP2C9
Sulfisoxazole SCHEMBL2200933 0.76 EDNRA (0.97) MEN1KMT2AEDNRAEDNRBCYP2C9
Sulfisoxazole SCHEMBL5917298 0.76 EDNRA (0.97) MEN1KMT2AEDNRAEDNRBCYP2C9

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-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP claimed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP claimed
EP-1069114-A2 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-17 EP disclosed