SCHEMBL16487576

SCHEMBL16487576

CC(=O)c1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.84
SMN1; SMN2 Q16637 1/20 0.84
MAPT P10636 5/20 0.81
TP53 P04637 1/20 0.81
MEN1 O00255 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
KMT2A Q03164 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
ALDH1A1 P00352 3/20 0.61
OGT O15294 4/20 0.60
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL16487654 0.93 THRB (0.87) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487586 0.92 SMN1; SMN2 (0.77) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487686 0.91 SMN1; SMN2 (1.00) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487651 0.90 MAPT (1.00) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487608 0.90 MAPT (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487589 0.88 SMN1; SMN2 (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487647 0.88 SMN1; SMN2 (0.87) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487679 0.86 THRB (0.78) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487655 0.86 SMN1; SMN2 (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16488029 0.86 SMN1; SMN2 (0.78) 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