SCHEMBL16487599

SCHEMBL16487599

Cc1ccnc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.76
THRB P10828 1/20 0.76
MAPT P10636 4/20 0.69
TP53 P04637 2/20 0.69
MEN1 O00255 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
KMT2A Q03164 1/20 0.68
ALDH1A1 P00352 5/20 0.67
TSHR P16473 2/20 0.59
LMNA P02545 1/20 0.59
OGT O15294 5/20 0.59
HSD17B10 Q99714 1/20 0.58
POLB P06746 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL16487687 0.90 THRB (0.73) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487644 0.89 SMN1; SMN2 (0.80) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487655 0.87 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487686 0.87 SMN1; SMN2 (1.00) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487647 0.87 SMN1; SMN2 (0.87) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487641 0.85 SMN1; SMN2 (0.81) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487589 0.83 SMN1; SMN2 (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487654 0.83 THRB (0.87) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487573 0.83 THRB (0.70) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487612 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