SCHEMBL16487571

SCHEMBL16487571

COc1ccc(OC)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
SMN1; SMN2 Q16637 2/20 0.69
THRB P10828 1/20 0.69
TP53 P04637 3/20 0.67
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
KMT2A Q03164 1/20 0.66
ALDH1A1 P00352 4/20 0.62
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
POLB P06746 1/20 0.56
OGT O15294 2/20 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
SCHEMBL16487597 0.94 MAPT (0.88) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487666 0.92 MAPT (0.84) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487979 0.89 MAPT (0.81) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487584 0.88 MAPT (0.79) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487582 0.88 MAPT (0.79) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487598 0.88 MAPT (0.78) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487674 0.86 MAPT (0.75) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487611 0.85 MAPT (0.74) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487633 0.84 MAPT (0.73) MAPTSMN1; SMN2THRBTP53MEN1
SCHEMBL16487658 0.83 MAPT (0.74) MAPTSMN1; SMN2THRBTP53MEN1

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