SCHEMBL8906118

SCHEMBL8906118

CCCCc1nc2ccc(N(C(C)C)S(=O)(=O)c3ccc(Cl)cc3)cc2n1-c1ccc(-c2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
EDNRA P25101 1/20 0.36

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
SCHEMBL8907073 0.89 PTPN22 (0.43) MEN1KMT2A
SCHEMBL8907331 0.85 ALOX5 (0.40) MEN1KMT2AAGTR1
SCHEMBL8905536 0.84 ALOX5 (0.44) AGTR1AGTR2
SCHEMBL8906787 0.83 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL8905887 0.83 EDNRA (0.37) PPARGMEN1KMT2AAGTR1AGTR2
SCHEMBL8905567 0.82 KEAP1 (0.42) PPARGEDNRA
SCHEMBL8906990 0.82 ALOX5 (0.42) PPARGEDNRA
SCHEMBL8905550 0.80 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8905756 0.79 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9095487 0.77 PPARG (0.66) PPARGAGTR1AGTR2

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