SCHEMBL16487594

SCHEMBL16487594

O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3)ccc2N1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGT O15294 9/20 0.75
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
POLB P06746 2/20 0.62
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL16487587 0.90 CYP3A4 (0.65) OGTCYP3A4CYP2D6CYP2C9POLB
SCHEMBL4544776 0.88 OGT (0.88) OGTCYP3A4CYP2D6POLBGAA
SCHEMBL16487640 0.86 OGT (0.84) OGTCYP3A4CYP2D6POLBGAA
SCHEMBL10131963 0.86 OGT (1.00) OGTPOLBGAAMAPTTDP1
SCHEMBL16487949 0.84 OGT (0.80) OGTPOLBGAAMAPTTDP1
SCHEMBL16488012 0.84 OGT (0.80) OGTPOLBGAAMAPTTDP1
SCHEMBL16488019 0.82 OGT (0.78) OGTPOLBGAAMAPTTDP1
SCHEMBL16487615 0.82 OGT (0.73) OGTPOLBGAAMAPTTDP1
SCHEMBL16488014 0.82 OGT (0.72) OGTPOLBGAAMAPTTDP1
SCHEMBL16487964 0.82 OGT (0.75) OGTCYP3A4CYP2D6POLBGAA

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