SCHEMBL16487646

SCHEMBL16487646

CCOC(=O)C1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGT O15294 6/20 0.62
THRB P10828 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
KMT2A Q03164 1/20 0.61
PLAU P00749 1/20 0.59
PLAT P00750 1/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
MAPT P10636 5/20 0.58
TP53 P04637 1/20 0.58
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.52

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
SCHEMBL16487650 0.93 MAPT (0.66) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487574 0.90 THRB (0.66) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487634 0.88 OGT (0.68) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487684 0.85 MEN1 (0.68) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487691 0.85 MEN1 (0.70) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487606 0.85 MEN1 (0.70) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487593 0.84 MEN1 (0.69) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487680 0.84 MEN1 (0.69) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487682 0.83 MEN1 (0.67) OGTTHRBSMN1; SMN2MEN1CYP3A4
SCHEMBL16487626 0.83 MEN1 (0.62) OGTTHRBSMN1; SMN2MEN1CYP3A4

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