SCHEMBL8060425

SCHEMBL8060425

CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)nn3)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 1.00
KDM4E B2RXH2 1/20 0.62
NSD2 O96028 1/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL8054280 0.86 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8058105 0.86 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8055569 0.85 EDNRA (0.76) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8055525 0.85 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8042538 0.83 EDNRA (0.72) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8060550 0.82 EDNRA (0.71) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8060504 0.81 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8890035 0.81 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8395655 0.80 EDNRA (0.67) EDNRATSHR
SCHEMBL8060464 0.80 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10

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
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
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP disclosed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO disclosed