SCHEMBL6916178

SCHEMBL6916178

Cc1nc(C)c(S(=O)(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)n(C)c23)s1.Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(NS(=O)(=O)CS(C)(=O)=O)c21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.34
MAPK14 Q16539 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
HSD11B1 P28845 1/20 0.30
MCL1 Q07820 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL6833916 0.94 ALB (0.37) ALBMAPK14PPARGPPARDPPARA
SCHEMBL6916177 0.93 LMNA (0.33) LMNATP53MAPT
SCHEMBL6835608 0.89 ALB (0.40) ALBMAPK14PPARGPPARDPPARA
SCHEMBL6834048 0.82 ALB (0.42) ALBMAPK14PPARGPPARDPPARA
SCHEMBL6834424 0.80 ALB (0.43) ALBPPARGPPARDPPARALMNA
SCHEMBL6835709 0.80 ALB (0.40) ALBMAPK14PPARGPPARDPPARA
SCHEMBL6833335 0.79 ACLY (0.49) ALBMAPK14PPARGPPARDPPARA
SCHEMBL6834135 0.79 ALB (0.39) ALB
SCHEMBL6834185 0.78 ACLY (0.45) ALBLMNATP53MAPTMEN1
SCHEMBL6834030 0.78 ALB (0.39) ALBPPARGPPARDPPARAPKM

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed