SCHEMBL16487581

SCHEMBL16487581

CSc1cccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
MAPT P10636 5/20 0.72
TP53 P04637 1/20 0.72
MEN1 O00255 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
KMT2A Q03164 1/20 0.69
TSHR P16473 2/20 0.60
LMNA P02545 1/20 0.60
ALDH1A1 P00352 4/20 0.59
OGT O15294 3/20 0.58
USP2 O75604 1/20 0.56
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL16488029 0.89 SMN1; SMN2 (0.78) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487655 0.89 SMN1; SMN2 (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487586 0.88 SMN1; SMN2 (0.77) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487582 0.87 MAPT (0.79) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487589 0.86 SMN1; SMN2 (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487647 0.85 SMN1; SMN2 (0.87) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487686 0.85 SMN1; SMN2 (1.00) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487654 0.85 THRB (0.87) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487624 0.85 THRB (0.72) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487636 0.84 SMN1; SMN2 (0.73) 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