SCHEMBL2189193

SCHEMBL2189193

Nc1cc(=O)[nH]c(NC(=O)c2csc(C3CCN(C(=O)c4ccccc4OC(F)(F)F)CC3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.45
CSNK1D P48730 2/20 0.45
CSNK1G3 Q9Y6M4 1/20 0.43
MGLL Q99685 2/20 0.42
HSD11B1 P28845 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
KDM5A P29375 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SPR P35270 3/20 0.39
CACNA1B Q00975 2/20 0.38
PPARG P37231 1/20 0.37
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL2187003 0.85 CSNK1E (0.54) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL2187132 0.84 CSNK1E (0.54) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL2187760 0.83 MGLL (0.42) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL2187368 0.82 MGLL (0.43) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL2187423 0.81 MGLL (0.41) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL4294205 0.80 HSD11B1 (0.52) MGLLHSD11B1HCRTR1HCRTR2KDM5A
SCHEMBL28768418 0.80 HSD11B1 (0.53) MGLLHSD11B1HCRTR1HCRTR2KDM5A
SCHEMBL2187577 0.79 CSNK1E (0.47) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL2187918 0.78 CSNK1E (0.46) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL2187583 0.77 CSNK1E (0.43) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1

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-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed