SCHEMBL8060504

SCHEMBL8060504

CN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)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 0.65
NSD2 O96028 1/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL8055300 0.86 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8058098 0.85 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8890035 0.85 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8055239 0.83 EDNRA (1.00) EDNRA
SCHEMBL8060425 0.81 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8891516 0.81 EDNRA (1.00) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8054273 0.81 EDNRA (0.69) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL8042449 0.81 EDNRA (0.81) EDNRA
SCHEMBL8054307 0.81 EDNRA (0.81) EDNRA
SCHEMBL8392571 0.81 EDNRA (0.67) EDNRATSHR

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