SCHEMBL16487579

SCHEMBL16487579

O=C1CCc2cc(S(=O)(=O)NC(C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccc3)ccc2N1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.79
OGT O15294 8/20 0.70
POLB P06746 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
TP53 P04637 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 1/20 0.66
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66
THRB P10828 1/20 0.61
GAA P10253 1/20 0.60

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
SCHEMBL16487588 0.91 MAPT (0.81) MAPTOGTPOLBTDP1TP53
SCHEMBL16488026 0.90 MAPT (0.74) MAPTOGTPOLBTDP1TP53
SCHEMBL16487941 0.89 MAPT (0.84) MAPTOGTPOLBTDP1TP53
SCHEMBL16487950 0.88 MAPT (1.00) MAPTOGTPOLBTDP1TP53
SCHEMBL16488007 0.86 MAPT (0.80) MAPTOGTPOLBTDP1TP53
SCHEMBL16487603 0.86 MAPT (0.76) MAPTOGTPOLBTDP1TP53
SCHEMBL16487971 0.85 OGT (0.79) MAPTOGTPOLBTDP1TP53
SCHEMBL16488025 0.85 OGT (0.73) MAPTOGTPOLBTDP1TP53
SCHEMBL16487972 0.85 OGT (0.75) MAPTOGTPOLBTDP1TP53
SCHEMBL16487630 0.84 POLB (0.77) MAPTOGTPOLBTDP1TP53

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