SCHEMBL16488014

SCHEMBL16488014

COc1cccc(CNC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGT O15294 8/20 0.72
POLB P06746 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 2/20 0.61
ALDH1A1 P00352 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
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
SCHEMBL16487949 0.92 OGT (0.80) OGTPOLBTDP1GAAMAPT
SCHEMBL16487633 0.90 MAPT (0.73) OGTPOLBMAPTALDH1A1TSHR
SCHEMBL4544776 0.90 OGT (0.88) OGTPOLBTDP1GAAMAPT
SCHEMBL16487986 0.87 OGT (0.72) OGTPOLBTDP1GAAMAPT
SCHEMBL16487982 0.85 OGT (0.70) OGTPOLBTDP1GAAMAPT
SCHEMBL10131963 0.84 OGT (1.00) OGTPOLBTDP1GAAMAPT
SCHEMBL16487640 0.84 OGT (0.84) OGTPOLBTDP1GAAMAPT
SCHEMBL16488012 0.84 OGT (0.80) OGTPOLBTDP1GAAMAPT
SCHEMBL16487964 0.84 OGT (0.75) OGTPOLBTDP1GAAMAPT
SCHEMBL16487572 0.83 MAPT (0.75) OGTPOLBTDP1GAAMAPT

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