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SCHEMBL16488013

SCHEMBL16488013

CCc1ccccc1NC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 1.00
▸ OGT O15294 8/20 0.79
▸ TP53 P04637 2/20 0.74
▸ SMN1; SMN2 Q16637 1/20 0.74
▸ MAPT P10636 2/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ GAA P10253 1/20 0.66

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 0.89 TP53 (0.85) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL10131856 0.88 OGT (1.00) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16488021 0.88 POLB (0.79) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16487630 0.87 POLB (0.77) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16488028 0.87 OGT (0.82) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16487945 0.87 OGT (0.82) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16488008 0.85 POLB (0.74) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16487942 0.85 SMN1; SMN2 (1.00) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16487941 0.84 MAPT (0.84) POLBOGTTP53SMN1; SMN2MAPT
SCHEMBL16487950 0.84 MAPT (1.00) POLBOGTTP53SMN1; SMN2MAPT

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