SCHEMBL16487679

SCHEMBL16487679

O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ccc(F)c(F)c3)ccc2N1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
MAPT P10636 5/20 0.76
TP53 P04637 1/20 0.76
MEN1 O00255 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
KMT2A Q03164 1/20 0.70
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
OGT O15294 5/20 0.58
POLB P06746 2/20 0.54
TDP1 Q9NUW8 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
SCHEMBL16487608 0.90 MAPT (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487578 0.89 SMN1; SMN2 (0.74) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487589 0.88 SMN1; SMN2 (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487686 0.88 SMN1; SMN2 (1.00) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487654 0.88 THRB (0.87) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487665 0.87 SMN1; SMN2 (0.80) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487659 0.87 MAPT (0.69) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487655 0.86 SMN1; SMN2 (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487576 0.86 THRB (0.84) THRBSMN1; SMN2MAPTTP53MEN1
SCHEMBL16487651 0.86 MAPT (1.00) THRBSMN1; SMN2MAPTTP53MEN1

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