SCHEMBL16488019

SCHEMBL16488019

O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3Cl)c3ccccc3)ccc2N1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGT O15294 9/20 0.78
POLB P06746 2/20 0.69
MAPT P10636 1/20 0.66
GAA P10253 2/20 0.65
TDP1 Q9NUW8 1/20 0.63
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.60
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) OGTPOLBMAPTGAATDP1
SCHEMBL16487628 0.88 MEN1 (0.69) OGTPOLBMAPTGAATP53
SCHEMBL10131963 0.88 OGT (1.00) OGTPOLBMAPTGAATDP1
SCHEMBL16487982 0.87 OGT (0.70) OGTPOLBMAPTGAATDP1
SCHEMBL16487615 0.84 OGT (0.73) OGTPOLBMAPTGAATDP1
SCHEMBL16487640 0.84 OGT (0.84) OGTPOLBMAPTGAATDP1
SCHEMBL16487642 0.83 OGT (0.72) OGTPOLBMAPTGAATDP1
SCHEMBL16487594 0.82 OGT (0.75) OGTPOLBMAPTGAATDP1
SCHEMBL16487964 0.82 OGT (0.75) OGTPOLBMAPTGAATDP1
SCHEMBL16488012 0.82 OGT (0.80) OGTPOLBMAPTGAATDP1

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