SCHEMBL16487698

SCHEMBL16487698

Cc1ccc(C)c(N2CCN(C(=O)C(Cc3ccccc3)NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
THRB P10828 1/20 0.66
OGT O15294 7/20 0.63
MEN1 O00255 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
KMT2A Q03164 1/20 0.61
TSHR P16473 3/20 0.60
HTT P42858 2/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 2/20 0.55

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
SCHEMBL16487697 0.87 OGT (0.68) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487691 0.87 MEN1 (0.70) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487684 0.85 MEN1 (0.68) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487606 0.85 MEN1 (0.70) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487574 0.85 THRB (0.66) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487680 0.84 MEN1 (0.69) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487593 0.84 MEN1 (0.69) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487700 0.84 OGT (0.66) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487634 0.83 OGT (0.68) SMN1; SMN2THRBOGTMEN1CYP3A4
SCHEMBL16487682 0.83 MEN1 (0.67) SMN1; SMN2THRBOGTMEN1CYP3A4

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