SCHEMBL2823019

SCHEMBL2823019

CN(c1cc(Cl)cc(Cl)c1)c1c(C#N)cccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.44
F13A1 P00488 6/20 0.44
TGM1 P22735 5/20 0.44
TGM3 Q08188 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
STS P08842 4/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.39
GPR119 Q8TDV5 2/20 0.39

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
SCHEMBL2822929 0.81 TGM2 (0.44) TGM2F13A1TGM1TGM3NR1H2
SCHEMBL2823128 0.73 TGM2 (0.46) TGM2F13A1TGM1TGM3MAPT
SCHEMBL13239816 0.72 TGM2 (0.59) TGM2F13A1TGM1TGM3MAPT
SCHEMBL4274049 0.72 STS (0.60) TGM2F13A1TGM1TGM3STS
SCHEMBL2822128 0.72 CNR1 (0.50) TGM2F13A1TGM1TGM3MAPT
SCHEMBL20451456 0.72 TGM2 (0.49) TGM2F13A1TGM1TGM3ATM
SCHEMBL25003057 0.71 NR1H2 (0.47) NR1H2NR1H3MAPTSTSGPR119
SCHEMBL2820911 0.71 TGM2 (0.49) TGM2F13A1TGM1TGM3MAPT
SCHEMBL29060789 0.71 MAPT (0.73) TGM2F13A1TGM1TGM3MAPT
SCHEMBL2224488 0.70 TGM2 (0.60) TGM2F13A1TGM1TGM3GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849469-B1 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC (US) 2010-10-27 EP disclosed
EP-1849469-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS Actimis Pharmaceuticals, Inc., (US) 2007-10-31 EP disclosed