SCHEMBL16487948

SCHEMBL16487948

COc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.70
OGT O15294 7/20 0.69
MAPT P10636 3/20 0.69
TP53 P04637 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TDP1 Q9NUW8 1/20 0.67
ALDH1A1 P00352 2/20 0.63
TSHR P16473 1/20 0.63
HSD17B10 Q99714 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
SCHEMBL16488007 0.89 MAPT (0.80) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16487597 0.88 MAPT (0.88) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16487986 0.87 OGT (0.72) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16487572 0.87 MAPT (0.75) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16487604 0.87 SMN1; SMN2 (0.81) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16487976 0.86 POLB (0.69) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16488010 0.86 MAPT (0.75) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16487617 0.84 MAPT (0.75) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16488021 0.84 POLB (0.79) POLBOGTMAPTTP53SMN1; SMN2
SCHEMBL16487601 0.84 OGT (0.66) POLBOGTMAPTTP53SMN1; SMN2

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