SCHEMBL16487573

SCHEMBL16487573

O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3nccs3)ccc2N1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MAPT P10636 5/20 0.68
TP53 P04637 1/20 0.68
MEN1 O00255 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
KMT2A Q03164 1/20 0.67
ALDH1A1 P00352 5/20 0.64
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
OGT O15294 4/20 0.56
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL16487687 0.86 THRB (0.73) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487607 0.85 SMN1; SMN2 (0.72) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487599 0.83 SMN1; SMN2 (0.76) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487637 0.83 MEN1 (0.68) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487608 0.82 MAPT (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487686 0.82 SMN1; SMN2 (1.00) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487654 0.82 THRB (0.87) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487647 0.82 SMN1; SMN2 (0.87) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487644 0.82 SMN1; SMN2 (0.80) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487676 0.82 MEN1 (0.77) THRBSMN1; SMN2MAPTTP53MEN1

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