SCHEMBL4591228

SCHEMBL4591228

Cc1cc(F)ccc1-c1c(C)ccnc1NS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.46
PKM P14618 2/20 0.46
PGR P06401 3/20 0.44
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR4 P51679 1/20 0.43
F2 P00734 1/20 0.43
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
SLC40A1 Q9NP59 1/20 0.42
PIK3C2B O00750 1/20 0.41
PIK3C2G O75747 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
BRAF P15056 1/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL4501629 0.78 PKM (0.50) KITPKMPGRMEN1GFER
SCHEMBL4500689 0.77 PKM (0.48) PKMPGR
SCHEMBL4501662 0.77 PKM (0.48) KITPKMPGRMEN1GFER
SCHEMBL4504642 0.72 PKM (0.50) KITPKMPGRMEN1GFER
SCHEMBL4491585 0.70 PKM (0.48) KITPKMPGRMEN1GFER
SCHEMBL3291973 0.70 PGR (0.50) PGRCCR4SLC40A1PIK3C2BPIK3C2G
SCHEMBL4591167 0.69 SLC40A1 (0.54) PKMPGRCCR4EDNRBEDNRA
SCHEMBL526674 0.68 PKM (0.64) KITPKMPGRMEN1KMT2A
SCHEMBL16433207 0.66 PKM (0.54) KITPKMPGRMEN1GFER
SCHEMBL8629936 0.66 MAPK14 (0.42) MEN1KMT2ASLC40A1RXFP1

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-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP claimed