SCHEMBL8905197

SCHEMBL8905197

CCCCc1nc2ccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)cc2n1-c1ccc(-c2ccccc2)c(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
EDNRA P25101 7/20 0.38
NOD1 Q9Y239 2/20 0.37
NOD2 Q9HC29 1/20 0.37
AGT P01019 2/20 0.35
SYK P43405 1/20 0.34
HSPA5 P11021 1/20 0.33

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
Water SCHEMBL8906887 0.85 EDNRA (0.39) ALOX5EDNRANOD1NOD2HSPA5
SCHEMBL9096683 0.83 AGT (0.49) EDNRAAGT
SCHEMBL8907032 0.75 AGTR1 (0.42) AGT
SCHEMBL8905154 0.74 AGT (0.40) AGT
SCHEMBL8906462 0.71 AGTR1 (0.38) AGT
SCHEMBL8906818 0.71 AGTR1 (0.38) AGT
SCHEMBL8905649 0.71 AGT (0.41) EDNRAAGT
SCHEMBL8906584 0.70 AGT (0.34) AGT
SCHEMBL8392162 0.69 AGT (0.40) AGT
Water SCHEMBL9096451 0.68 EDNRA (0.48) EDNRA

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed