SCHEMBL16487578

SCHEMBL16487578

O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ccccc3F)ccc2N1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
THRB P10828 1/20 0.74
MAPT P10636 4/20 0.72
TP53 P04637 2/20 0.72
MEN1 O00255 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
KMT2A Q03164 1/20 0.71
ALDH1A1 P00352 3/20 0.62
POLB P06746 1/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
PKM P14618 1/20 0.61
OGT O15294 3/20 0.59

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
SCHEMBL16487659 0.91 MAPT (0.69) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487658 0.90 MAPT (0.74) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487679 0.89 THRB (0.78) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487612 0.87 SMN1; SMN2 (0.76) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487630 0.86 POLB (0.77) SMN1; SMN2MAPTTP53ALDH1A1POLB
SCHEMBL16487621 0.86 SMN1; SMN2 (0.73) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487641 0.85 SMN1; SMN2 (0.81) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487608 0.85 MAPT (0.84) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487647 0.85 SMN1; SMN2 (0.87) SMN1; SMN2THRBMAPTTP53MEN1
SCHEMBL16487686 0.85 SMN1; SMN2 (1.00) SMN1; SMN2THRBMAPTTP53MEN1

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