SCHEMBL8905567

SCHEMBL8905567

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.42
NFE2L2 Q16236 6/20 0.42
BMP1 P13497 1/20 0.40
CNR2 P34972 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
ALOX5 P09917 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
PTGES O14684 2/20 0.37
CAMK2A Q9UQM7 2/20 0.37
CAMK2G Q13555 1/20 0.37
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
SCHEMBL8906990 0.97 ALOX5 (0.42) KEAP1NFE2L2BMP1CNR2PTPN22
SCHEMBL8907331 0.93 ALOX5 (0.40) ALOX5PTGES
SCHEMBL8905536 0.90 ALOX5 (0.44) ALOX5PTGES
SCHEMBL8907073 0.85 PTPN22 (0.43) CNR2PTPN22ALOX5PTGES
SCHEMBL8905550 0.83 AGTR1 (0.37)
SCHEMBL8906118 0.82 PPARG (0.37) PPARGEDNRA
SCHEMBL8905756 0.81 AGTR1 (0.37)
SCHEMBL8906787 0.79 AGTR2 (0.37)
SCHEMBL8906709 0.78 PPARG (0.42) CNR2ALDH1A1PPARGEDNRA
SCHEMBL9094465 0.78 PPARG (0.66) PPARG

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