SCHEMBL16487598

SCHEMBL16487598

COc1cc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
THRB P10828 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
TP53 P04637 4/20 0.75
MEN1 O00255 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
KMT2A Q03164 1/20 0.71
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
ALDH1A1 P00352 3/20 0.60
OGT O15294 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
SCHEMBL16487582 0.93 MAPT (0.79) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487647 0.89 SMN1; SMN2 (0.87) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487584 0.88 MAPT (0.79) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487571 0.88 MAPT (1.00) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487597 0.88 MAPT (0.88) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487572 0.87 MAPT (0.75) MAPTSMN1; SMN2TP53HTTTSHR
SCHEMBL16487686 0.87 SMN1; SMN2 (1.00) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487654 0.87 THRB (0.87) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487611 0.87 MAPT (0.74) MAPTTHRBSMN1; SMN2TP53MEN1
SCHEMBL16487674 0.86 MAPT (0.75) MAPTTHRBSMN1; SMN2TP53MEN1

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