SCHEMBL16487574

SCHEMBL16487574

CCOC(=O)N1CCN(C(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
MAPT P10636 4/20 0.62
TP53 P04637 1/20 0.62
OGT O15294 7/20 0.59
ALDH1A1 P00352 3/20 0.58
F2 P00734 1/20 0.57
PLG P00747 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
SCHEMBL16487684 0.91 MEN1 (0.68) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487691 0.91 MEN1 (0.70) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487646 0.90 OGT (0.62) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487606 0.89 MEN1 (0.70) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487593 0.88 MEN1 (0.69) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487680 0.88 MEN1 (0.69) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487697 0.87 OGT (0.68) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487650 0.87 MAPT (0.66) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487634 0.86 OGT (0.68) THRBSMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL16487682 0.86 MEN1 (0.67) THRBSMN1; SMN2MEN1CYP3A4CYP2D6

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