SCHEMBL16488017

SCHEMBL16488017

CCN(CC)c1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.71
▸ TP53 P04637 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ OGT O15294 9/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ GFER P55789 1/20 0.66
▸ MAPT P10636 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ GAA P10253 1/20 0.61

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
SCHEMBL16487947 0.87 TP53 (0.85) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL16488013 0.83 POLB (1.00) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL16487985 0.83 GAA (0.75) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL16487942 0.83 SMN1; SMN2 (1.00) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL16487945 0.83 OGT (0.82) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL16487630 0.82 POLB (0.77) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL10131852 0.82 OGT (1.00) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL16487585 0.81 TP53 (0.84) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL4547301 0.81 OGT (1.00) POLBTP53SMN1; SMN2OGTTDP1
SCHEMBL16488024 0.81 POLB (0.71) POLBTP53SMN1; SMN2OGTTDP1

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 1 patent. 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
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