SCHEMBL4359474

SCHEMBL4359474

CC(C)S(=O)(=O)Nc1cc2c(=O)[nH]n(Cc3ccc(Cl)cc3)c2cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
PTGES2 Q9H7Z7 2/20 0.35
TP53 P04637 2/20 0.34
DAO P14920 1/20 0.33
GAA P10253 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
CXCR2 P25025 1/20 0.32
PIK3CD O00329 1/20 0.32
MCL1 Q07820 1/20 0.32
S100A9 P06702 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1810258 0.80 ACLY (0.43) MAPTPTGES2TP53DAOGAA
SCHEMBL1811314 0.77 TRPV4 (0.45) MAPTGAACXCR2MCL1L3MBTL1
SCHEMBL3906458 0.75 ACLY (0.47) MCL1
SCHEMBL3917122 0.75 NR1I2 (0.45) DAOMCL1
SCHEMBL3917135 0.74 PGR (0.48)
SCHEMBL3908352 0.74 MAPT (0.43) MAPTTP53GAADRD2HTR2A
SCHEMBL3911540 0.74 DAO (0.40) DAOCXCR2
SCHEMBL4352199 0.73 BRPF1 (0.44) DAO
SCHEMBL1812628 0.73 BRPF1 (0.41) DAO
SCHEMBL1818133 0.73 PKM (0.43) MAPT

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
EP-1797042-B1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed