SCHEMBL16487643

SCHEMBL16487643

CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
TSHR P16473 1/20 1.00
MAPT P10636 4/20 0.73
OGT O15294 4/20 0.73
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
KMT2A Q03164 1/20 0.66
THRB P10828 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TP53 P04637 2/20 0.62
GAA P10253 2/20 0.59

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
SCHEMBL16487681 0.90 LMNA (0.82) LMNATSHRMAPTOGTALDH1A1
SCHEMBL16487627 0.89 LMNA (0.80) LMNATSHRMAPTOGTALDH1A1
SCHEMBL16487669 0.87 OGT (0.77) LMNATSHRMAPTOGTALDH1A1
SCHEMBL16487619 0.86 LMNA (0.75) LMNATSHRMAPTOGTALDH1A1
SCHEMBL4544775 0.84 OGT (1.00) LMNATSHRMAPTOGTALDH1A1
SCHEMBL16487648 0.82 MEN1 (0.76) LMNATSHRMAPTOGTALDH1A1
SCHEMBL16487631 0.82 LMNA (0.70) LMNATSHRMAPTOGTALDH1A1
SCHEMBL16487592 0.82 MEN1 (0.75) LMNATSHRMAPTOGTALDH1A1
SCHEMBL16487622 0.82 OGT (0.83) LMNATSHRMAPTOGTSMN1; SMN2
SCHEMBL16487678 0.81 ALDH1A1 (0.71) LMNATSHRMAPTOGTALDH1A1

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