Sugi Predict

Sugi Predict / Compounds / SCHEMBL7857442

SCHEMBL7857442

SCHEMBL7857442

Cc1cc(C)c(S(=O)(=O)Nc2onc(C)c2C)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 18/20 1.00
▸ EDNRB P24530 14/20 0.74
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ADRA1A P35348 1/20 0.55

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
SCHEMBL9063349 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7230660 0.85 EDNRA (1.00) EDNRAEDNRB
SCHEMBL16509574 0.80 EDNRA (0.67) EDNRAEDNRBKMT2AMEN1CYP2C9
SCHEMBL7850030 0.78 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6777731 0.76 EDNRA (0.70) EDNRAEDNRB
SCHEMBL7716850 0.73 EDNRA (1.00) EDNRAEDNRBKMT2AMEN1CYP2C9
SCHEMBL6777190 0.73 EDNRA (0.76) EDNRAEDNRBKMT2AMEN1CYP2C9
SCHEMBL7855310 0.72 EDNRA (0.57) EDNRAEDNRBKMT2AMEN1CYP2C9
SCHEMBL7850038 0.72 EDNRA (0.74) EDNRAEDNRBKMT2AMEN1CYP2C9
SCHEMBL812692 0.72 CA1 (0.63) EDNRAKMT2AMEN1TSHRCYP2C19

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 1 patent. 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 disclosed