SCHEMBL16487697

SCHEMBL16487697

O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCN(c4ccccc4)CC3)ccc2N1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGT O15294 7/20 0.68
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
THRB P10828 1/20 0.64
MAPT P10636 4/20 0.62
TP53 P04637 2/20 0.62
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.61
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 1/20 0.56
USP2 O75604 1/20 0.55
HTT P42858 1/20 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
SCHEMBL16487691 0.91 MEN1 (0.70) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487606 0.91 MEN1 (0.70) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487682 0.90 MEN1 (0.67) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487593 0.90 MEN1 (0.69) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487680 0.90 MEN1 (0.69) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487700 0.90 OGT (0.66) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487684 0.90 MEN1 (0.68) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487690 0.88 OGT (0.78) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487574 0.87 THRB (0.66) OGTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487698 0.87 SMN1; SMN2 (0.66) OGTMEN1CYP3A4CYP2D6KMT2A

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