SCHEMBL16487668

SCHEMBL16487668

CN(C)c1ccc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
KMT2A Q03164 1/20 0.69
THRB P10828 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 4/20 0.65
ALDH1A1 P00352 4/20 0.65
TP53 P04637 1/20 0.65
LMNA P02545 1/20 0.64
TSHR P16473 1/20 0.64
OGT O15294 4/20 0.64
POLB P06746 2/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL16487676 0.92 MEN1 (0.77) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16488012 0.89 OGT (0.80) SMN1; SMN2MAPTALDH1A1TP53TSHR
SCHEMBL16487685 0.89 OGT (0.80) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16487652 0.89 MEN1 (0.70) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16487611 0.89 MAPT (0.74) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16487648 0.85 MEN1 (0.76) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16487633 0.85 MAPT (0.73) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16487678 0.84 ALDH1A1 (0.71) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16487587 0.84 CYP3A4 (0.65) MEN1CYP3A4CYP2D6KMT2ATHRB
SCHEMBL16487671 0.84 MEN1 (0.67) MEN1CYP3A4CYP2D6KMT2ATHRB

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