SCHEMBL16487607

SCHEMBL16487607

Cc1csc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
THRB P10828 1/20 0.72
MAPT P10636 5/20 0.68
TP53 P04637 2/20 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
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 1/20 0.57
OGT O15294 5/20 0.56
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL16487647 0.86 SMN1; SMN2 (0.87) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487573 0.85 THRB (0.70) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487686 0.84 SMN1; SMN2 (1.00) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487649 0.84 SMN1; SMN2 (0.72) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487975 0.83 SMN1; SMN2 (0.71) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487655 0.83 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487589 0.83 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487654 0.82 THRB (0.87) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487644 0.82 SMN1; SMN2 (0.80) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487599 0.82 SMN1; SMN2 (0.76) 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