SCHEMBL7573348

SCHEMBL7573348

COc1ccccc1Oc1c(N)cc(C#N)cc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.48
AR P10275 1/20 0.42
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EDNRA P25101 3/20 0.39
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL7566533 0.85 DHPS (0.43) DHPSARMAPTTSHRHTT
SCHEMBL7570395 0.82 AR (0.41) ARLMNAPOLBMAPTNPSR1
SCHEMBL13126996 0.75 TUBB1 (0.51) ARPOLBMAPTTUBB1
SCHEMBL7568395 0.73 EDNRA (0.73) DHPSEDNRA
SCHEMBL7568052 0.71 POLB (0.51) DHPSLMNAPOLBTSHREDNRA
SCHEMBL1340976 0.71 AR (0.64) ARLMNATSHRHTTNPSR1
SCHEMBL30960126 0.71 ALDH1A1 (0.62) LMNAPOLBMAPTNPSR1TUBB1
SCHEMBL516162 0.71 ALDH1A1 (0.62) LMNAPOLBMAPTNPSR1TUBB1
SCHEMBL7568230 0.71 ALDH1A1 (0.48) DHPSPOLBMAPTNPSR1
SCHEMBL15145964 0.70 PTGDR2 (0.44) ARPOLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed