Sugi Predict

Sugi Predict / Compounds / SCHEMBL16488016

SCHEMBL16488016

SCHEMBL16488016

CCCN(CCC)CCNC(=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 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.92
▸ OGT O15294 9/20 0.68
▸ POLB P06746 2/20 0.67
▸ MAPT P10636 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ TP53 P04637 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ TSHR P16473 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ LMNA P02545 1/20 0.57

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
SCHEMBL16487963 0.96 GAA (1.00) GAAOGTPOLBMAPTTDP1
SCHEMBL16487985 0.88 GAA (0.75) GAAOGTPOLBMAPTTDP1
SCHEMBL16487968 0.85 GAA (0.81) GAAOGTPOLBMAPTTDP1
SCHEMBL16487977 0.84 GAA (0.71) GAAOGTPOLBMAPTTDP1
SCHEMBL4544776 0.83 OGT (0.88) GAAOGTPOLBMAPTTDP1
SCHEMBL16487622 0.82 OGT (0.83) GAAOGTPOLBMAPTTDP1
SCHEMBL16487583 0.82 GAA (0.70) GAAOGTPOLBMAPTTDP1
SCHEMBL4544777 0.81 OGT (1.00) GAAOGTPOLBMAPTTDP1
SCHEMBL16488012 0.81 OGT (0.80) GAAOGTPOLBMAPTTDP1
SCHEMBL16487693 0.80 OGT (0.80) GAAOGTPOLBMAPTTDP1

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