SCHEMBL8907331

SCHEMBL8907331

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.40
PTGES O14684 3/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AGTR1 P30556 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C18 P33260 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 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
SCHEMBL8905567 0.93 KEAP1 (0.42) ALOX5PTGES
SCHEMBL8905536 0.93 ALOX5 (0.44) ALOX5PTGESAGTR1
SCHEMBL8906990 0.89 ALOX5 (0.42) ALOX5PTGES
SCHEMBL8907073 0.87 PTPN22 (0.43) ALOX5PTGESMEN1KMT2A
SCHEMBL8905550 0.85 AGTR1 (0.37) AGTR1
SCHEMBL8906118 0.85 PPARG (0.37) AGTR1MEN1KMT2A
SCHEMBL8905756 0.83 AGTR1 (0.37) AGTR1
SCHEMBL8906787 0.81 AGTR2 (0.37) AGTR1
SCHEMBL8905540 0.78 AGTR1 (0.41) ALOX5PTGESAGTR1
SCHEMBL9095186 0.77 AGTR1 (0.62) AGTR1

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