SCHEMBL16487601

SCHEMBL16487601

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGT O15294 8/20 0.66
MAPT P10636 2/20 0.59
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL16487948 0.84 POLB (0.70) OGTMAPTPOLBTDP1TP53
SCHEMBL16488007 0.81 MAPT (0.80) OGTMAPTPOLBTDP1TP53
SCHEMBL4544665 0.79 OGT (1.00) OGTMAPTPOLBTDP1TP53
SCHEMBL16487986 0.79 OGT (0.72) OGTMAPTPOLBTDP1TP53
SCHEMBL16487572 0.79 MAPT (0.75) OGTMAPTPOLBTDP1TP53
SCHEMBL4544777 0.79 OGT (1.00) OGTMAPTPOLBTDP1TP53
SCHEMBL16487629 0.78 OGT (0.82) OGTMAPTPOLBTDP1TP53
SCHEMBL16487949 0.78 OGT (0.80) OGTMAPTPOLBTDP1TP53
SCHEMBL16487623 0.78 OGT (0.72) OGTMAPTPOLBTDP1TP53
SCHEMBL16488010 0.78 MAPT (0.75) OGTMAPTPOLBTDP1TP53

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