SCHEMBL8784309

SCHEMBL8784309

CC(=O)Nc1ccc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.63
MEN1 O00255 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
RAB9A P51151 1/20 0.61
TP53 P04637 1/20 0.58
GAA P10253 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
SCHEMBL7951178 0.97 P2RY1 (0.64) P2RY1MEN1POLBMAPTKMT2A
SCHEMBL7857278 0.88 TP53 (0.72) P2RY1MEN1POLBMAPTKMT2A
SCHEMBL6771045 0.81 EDNRA (0.67) P2RY1MEN1POLBMAPTKMT2A
SCHEMBL8784088 0.81 EDNRA (0.74) MEN1KMT2A
SCHEMBL7939780 0.81 EDNRA (0.67) RAB9A
SCHEMBL8784628 0.81 EDNRA (0.67) RAB9A
SCHEMBL8785066 0.81 EDNRA (0.67)
SCHEMBL7939644 0.81 EDNRA (0.67)
SCHEMBL6771238 0.80 EDNRA (0.61) P2RY1MEN1POLBMAPTKMT2A
SCHEMBL7949150 0.79 EDNRA (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP claimed
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP disclosed