SCHEMBL7956558

SCHEMBL7956558

COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(CN(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
EDNRB P24530 6/20 0.40
EDNRA P25101 6/20 0.40
TP53 P04637 1/20 0.36

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
SCHEMBL4770889 0.90 EDNRB (0.40) MAPTEDNRBEDNRATP53
SCHEMBL6640800 0.90 EDNRB (0.41) MAPTEDNRBEDNRATP53
SCHEMBL6771681 0.89 EDNRA (0.40) MAPTEDNRBEDNRATP53
SCHEMBL6772130 0.89 TP53 (0.39) MAPTEDNRBEDNRATP53
SCHEMBL6771197 0.89 EDNRB (0.54) EDNRBEDNRA
SCHEMBL6778008 0.88 EDNRB (0.40) MAPTEDNRBEDNRATP53
SCHEMBL6770266 0.88 EDNRB (0.39) MAPTEDNRBEDNRATP53
SCHEMBL8044496 0.88 EDNRB (0.39) MAPTEDNRBEDNRATP53
SCHEMBL6772637 0.88 EDNRA (0.41) EDNRBEDNRA
SCHEMBL7947866 0.88 EDNRB (0.39) MAPTEDNRBEDNRATP53

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
US-6271248-B1 USED IN TREATING HYPERTENSION, PULMONARY HYPERTENSION, RENAL/ GLOMERULAR/MESANGIAL CELL DISORDERS, ENDOTOXEMIA, ISCHEMIA, TUMOR GROWTH, ATHERSCLEROSIS, RESTENOSIS, SUBARACHNOID HEMORRHAGE, PROSTATIC HYPERTROPHY, CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6080774-A Substituted biphenylsulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-27 US disclosed
EP-0768305-A1 N-Isoxazolyl-biphenylsulfonamide derivatives, their preparation and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-16 EP disclosed