SCHEMBL16487947

SCHEMBL16487947

Cc1ccccc1NC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.85
SMN1; SMN2 Q16637 1/20 0.85
OGT O15294 10/20 0.83
POLB P06746 2/20 0.83
TDP1 Q9NUW8 1/20 0.83
MAPT P10636 1/20 0.74
ALDH1A1 P00352 1/20 0.72
TSHR P16473 1/20 0.72
HSD17B10 Q99714 1/20 0.72
PKM P14618 1/20 0.64
GAA P10253 1/20 0.63

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
SCHEMBL16487945 0.94 OGT (0.82) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL16487942 0.92 SMN1; SMN2 (1.00) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL10131852 0.91 OGT (1.00) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL16487585 0.90 TP53 (0.84) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL16488013 0.89 POLB (1.00) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL16488028 0.89 OGT (0.82) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL16487630 0.89 POLB (0.77) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL16488008 0.89 POLB (0.74) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL10132041 0.88 OGT (1.00) TP53SMN1; SMN2OGTPOLBTDP1
SCHEMBL16487971 0.88 OGT (0.79) TP53SMN1; SMN2OGTPOLBTDP1

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