SCHEMBL16487622

SCHEMBL16487622

CCCCN(CCCC)C(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OGT O15294 9/20 0.83
GAA P10253 1/20 0.71
LMNA P02545 1/20 0.69
TSHR P16473 1/20 0.69
POLB P06746 2/20 0.65
MAPT P10636 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16487693 0.98 OGT (0.80) OGTGAALMNATSHRPOLB
SCHEMBL4544777 0.91 OGT (1.00) OGTGAALMNATSHRPOLB
SCHEMBL16487681 0.84 LMNA (0.82) OGTGAALMNATSHRPOLB
SCHEMBL16487629 0.83 OGT (0.82) OGTGAALMNATSHRPOLB
SCHEMBL16487963 0.83 GAA (1.00) OGTGAALMNATSHRPOLB
SCHEMBL4544697 0.82 OGT (1.00) OGTGAALMNATSHRPOLB
SCHEMBL16487627 0.82 LMNA (0.80) OGTGAALMNATSHRPOLB
SCHEMBL16487583 0.82 GAA (0.70) OGTGAALMNATSHRPOLB
SCHEMBL16488016 0.82 GAA (0.92) OGTGAALMNATSHRPOLB
SCHEMBL16487643 0.82 LMNA (1.00) OGTGAALMNATSHRMAPT

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