SCHEMBL9256470

SCHEMBL9256470

Cc1noc(NS(=O)(=O)c2cccc3c(NC(=O)CCCCc4ccccc4)cccc23)c1C

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.67
EDNRB P24530 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL8784966 0.88 EDNRA (0.70) EDNRA
SCHEMBL9284343 0.88 EDNRA (0.73) EDNRA
SCHEMBL8785707 0.87 EDNRA (0.71) EDNRAEDNRB
SCHEMBL9262292 0.84 EDNRA (0.59) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL9258136 0.83 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8785104 0.81 EDNRA (1.00) EDNRA
SCHEMBL7949548 0.80 EDNRA (0.66) EDNRAEDNRB
SCHEMBL9258147 0.80 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8787204 0.79 EDNRA (0.67) EDNRA
SCHEMBL9258558 0.79 EDNRA (0.73) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed