SCHEMBL16487615

SCHEMBL16487615

O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccco3)c3ccccc3)ccc2N1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGT O15294 11/20 0.73
GAA P10253 1/20 0.65
POLB P06746 2/20 0.64
MAPT P10636 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 2/20 0.63
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL4544776 0.88 OGT (0.88) OGTGAAPOLBMAPTTDP1
SCHEMBL16487672 0.88 OGT (0.75) OGTMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL16487642 0.85 OGT (0.72) OGTGAAPOLBMAPTTDP1
SCHEMBL10131963 0.84 OGT (1.00) OGTGAAPOLBMAPTTDP1
SCHEMBL16487640 0.84 OGT (0.84) OGTGAAPOLBMAPTTDP1
SCHEMBL16488019 0.84 OGT (0.78) OGTGAAPOLBMAPTTDP1
SCHEMBL16487594 0.82 OGT (0.75) OGTGAAPOLBMAPTTDP1
SCHEMBL16488012 0.82 OGT (0.80) OGTGAAPOLBMAPTTDP1
SCHEMBL16487964 0.82 OGT (0.75) OGTGAAPOLBMAPTTDP1
SCHEMBL16487949 0.82 OGT (0.80) OGTGAAPOLBMAPTTDP1

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