SCHEMBL8434967

SCHEMBL8434967

CCCCc1nc(SC)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.63
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46

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
SCHEMBL3837125 0.94 EDNRA (0.70) EDNRAAGTR1AGTR2
SCHEMBL8521585 0.90 EDNRA (0.61) EDNRAAGTR1AGTR2
SCHEMBL8435201 0.90 EDNRA (0.63) EDNRAAGTR1AGTR2
SCHEMBL8435635 0.87 EDNRA (0.58) EDNRAAGTR1AGTR2
SCHEMBL7494119 0.87 EDNRA (0.60) EDNRAAGTR1AGTR2
SCHEMBL8434697 0.87 EDNRA (0.58) EDNRAAGTR1AGTR2
SCHEMBL8435630 0.87 EDNRA (0.58) EDNRAAGTR1AGTR2
SCHEMBL7497895 0.86 EDNRA (0.73) EDNRAAGTR1AGTR2
SCHEMBL7501847 0.86 EDNRA (0.58) EDNRAAGTR1AGTR2
SCHEMBL8043446 0.86 EDNRA (0.59) EDNRAAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed