SCHEMBL16487572

SCHEMBL16487572

COc1cc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.75
OGT O15294 7/20 0.72
POLB P06746 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
TP53 P04637 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
ALDH1A1 P00352 1/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
HTT P42858 1/20 0.63
GAA P10253 1/20 0.61

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
SCHEMBL16487986 0.93 OGT (0.72) MAPTOGTPOLBTDP1TP53
SCHEMBL16488007 0.93 MAPT (0.80) MAPTOGTPOLBTDP1TP53
SCHEMBL16488010 0.88 MAPT (0.75) MAPTOGTPOLBTDP1TP53
SCHEMBL16487948 0.87 POLB (0.70) MAPTOGTPOLBTDP1TP53
SCHEMBL16487598 0.87 MAPT (0.78) MAPTOGTTP53SMN1; SMN2ALDH1A1
SCHEMBL16487941 0.86 MAPT (0.84) MAPTOGTPOLBTDP1TP53
SCHEMBL16487588 0.86 MAPT (0.81) MAPTOGTPOLBTDP1TP53
SCHEMBL16487617 0.86 MAPT (0.75) MAPTOGTPOLBTDP1TP53
SCHEMBL16487950 0.85 MAPT (1.00) MAPTOGTPOLBTDP1TP53
SCHEMBL16487967 0.85 MAPT (0.77) MAPTOGTPOLBTDP1TP53

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