SCHEMBL16487666

SCHEMBL16487666

COc1ccc(Cl)cc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.84
TP53 P04637 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
THRB P10828 1/20 0.68
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 0.57
TSHR P16473 1/20 0.57
OGT O15294 5/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 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
SCHEMBL16487571 0.92 MAPT (1.00) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487674 0.88 MAPT (0.75) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487976 0.88 POLB (0.69) MAPTTP53SMN1; SMN2TSHROGT
SCHEMBL16487584 0.87 MAPT (0.79) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487597 0.87 MAPT (0.88) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487659 0.87 MAPT (0.69) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487608 0.86 MAPT (0.84) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487658 0.85 MAPT (0.74) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487979 0.84 MAPT (0.81) MAPTTP53SMN1; SMN2THRBMEN1
SCHEMBL16487598 0.84 MAPT (0.78) MAPTTP53SMN1; SMN2THRBMEN1

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