SCHEMBL18384

SCHEMBL18384

O=C1CC2COC[C@H](C1)N2C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.31
DDIT3 P35638 1/20 0.31
TDO2 P48775 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
SCHEMBL12089538 1.00 NR1D1 (0.31) NR1D1DDIT3TDO2
SCHEMBL17165 1.00 NR1D1 (0.31) NR1D1DDIT3TDO2
SCHEMBL18021 0.89 GCK (0.33) NR1D1DDIT3TDO2
SCHEMBL12079931 0.89 GCK (0.33) NR1D1DDIT3TDO2
SCHEMBL12089837 0.89 GCK (0.33) NR1D1DDIT3TDO2
SCHEMBL16510 0.79 GCKR (0.38) NR1D1DDIT3TDO2
SCHEMBL17166 0.76
SCHEMBL17115 0.75 NR1D1 (0.31) NR1D1TDO2
SCHEMBL18132 0.74 ALDH1A1 (0.31) NR1D1
SCHEMBL12089227 0.73 GCK (0.43)

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-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed