SCHEMBL16487669

SCHEMBL16487669

CCN(CC)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGT O15294 5/20 0.77
LMNA P02545 1/20 0.77
TSHR P16473 1/20 0.77
MEN1 O00255 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
KMT2A Q03164 1/20 0.71
MAPT P10636 5/20 0.71
ALDH1A1 P00352 3/20 0.71
THRB P10828 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TP53 P04637 1/20 0.67
POLB P06746 1/20 0.59
GAA P10253 1/20 0.56

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
SCHEMBL16487627 0.93 LMNA (0.80) OGTLMNATSHRMEN1CYP3A4
SCHEMBL16487681 0.89 LMNA (0.82) OGTLMNATSHRMEN1CYP3A4
SCHEMBL16487643 0.87 LMNA (1.00) OGTLMNATSHRMEN1CYP3A4
SCHEMBL4544777 0.87 OGT (1.00) OGTLMNATSHRMAPTALDH1A1
SCHEMBL16487592 0.85 MEN1 (0.75) OGTLMNATSHRMEN1CYP3A4
SCHEMBL16487648 0.84 MEN1 (0.76) OGTLMNATSHRMEN1CYP3A4
SCHEMBL16487631 0.84 LMNA (0.70) OGTLMNATSHRMEN1CYP3A4
SCHEMBL16487596 0.84 MEN1 (0.75) OGTLMNATSHRMEN1CYP3A4
SCHEMBL16487595 0.83 MEN1 (1.00) OGTLMNATSHRMEN1CYP3A4
SCHEMBL16487676 0.83 MEN1 (0.77) OGTLMNATSHRMEN1CYP3A4

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
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed