SCHEMBL16487641

SCHEMBL16487641

Cc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(C)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.81
THRB P10828 1/20 0.81
MAPT P10636 4/20 0.71
TP53 P04637 2/20 0.71
MEN1 O00255 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
KMT2A Q03164 1/20 0.70
OGT O15294 4/20 0.65
ALDH1A1 P00352 3/20 0.62
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
POLB P06746 3/20 0.59
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL16487686 0.90 SMN1; SMN2 (1.00) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487612 0.88 SMN1; SMN2 (0.76) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487655 0.88 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487647 0.88 SMN1; SMN2 (0.87) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487589 0.86 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487644 0.86 SMN1; SMN2 (0.80) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487578 0.85 SMN1; SMN2 (0.74) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487658 0.85 MAPT (0.74) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487621 0.85 SMN1; SMN2 (0.73) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487599 0.85 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