SCHEMBL16487586

SCHEMBL16487586

CC(=O)c1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.77
THRB P10828 1/20 0.77
MAPT P10636 6/20 0.75
TP53 P04637 1/20 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
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
ALDH1A1 P00352 3/20 0.60
OGT O15294 3/20 0.59
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL16487576 0.92 THRB (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16488029 0.91 SMN1; SMN2 (0.78) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487655 0.91 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487636 0.90 SMN1; SMN2 (0.73) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487654 0.89 THRB (0.87) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487582 0.88 MAPT (0.79) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487581 0.88 THRB (0.75) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487589 0.87 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487686 0.87 SMN1; SMN2 (1.00) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487647 0.87 SMN1; SMN2 (0.87) SMN1; SMN2THRBMAPTTP53MEN1

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