SCHEMBL1387375

SCHEMBL1387375

COc1nc(Cl)ncc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.69
KDM4E B2RXH2 1/20 0.55
NSD2 O96028 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL8474044 0.88 EDNRA (0.66) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8395577 0.85 EDNRA (0.58) EDNRA
SCHEMBL8058057 0.83 EDNRA (0.59) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL1387323 0.82 EDNRA (1.00) EDNRA
SCHEMBL8060434 0.81 EDNRA (0.72) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL1387421 0.78 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL1387349 0.77 EDNRA (1.00) EDNRA
SCHEMBL8054316 0.77 EDNRA (0.98) EDNRA
SCHEMBL8054320 0.77 EDNRA (0.98) EDNRA
SCHEMBL1387448 0.76 EDNRA (0.59) EDNRA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP claimed
JP-H09510987-A 1997-11-04 JP claimed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP claimed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US disclosed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US disclosed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO disclosed