SCHEMBL17466

SCHEMBL17466

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.37
CXCR4 P61073 2/20 0.32
TDO2 P48775 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 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
SCHEMBL17024 0.88 NR1D1 (0.36) NR1D1CXCR4TDO2KMT2AALDH1A1
SCHEMBL17464 0.85 NR1D1 (0.38) NR1D1CXCR4TDO2KMT2AALDH1A1
SCHEMBL18134 0.74 ALDH1A1 (0.30) ALDH1A1LMNAMAPT
SCHEMBL16510 0.73 GCKR (0.38) NR1D1TDO2KMT2AALDH1A1LMNA
SCHEMBL17115 0.73 NR1D1 (0.31) NR1D1TDO2
SCHEMBL17564 0.72 GCKR (0.41)
SCHEMBL18132 0.71 ALDH1A1 (0.31) NR1D1KMT2AALDH1A1MAPT
SCHEMBL18384 0.71 NR1D1 (0.31) NR1D1TDO2
SCHEMBL17165 0.71 NR1D1 (0.31) NR1D1TDO2
SCHEMBL12089538 0.71 NR1D1 (0.31) NR1D1TDO2

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-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed