SCHEMBL16487608

SCHEMBL16487608

O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)ccc2N1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.84
▸ TP53 P04637 1/20 0.84
▸ THRB P10828 1/20 0.84
▸ SMN1; SMN2 Q16637 1/20 0.84
▸ MEN1 O00255 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ OGT O15294 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.63
▸ LMNA P02545 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PKM P14618 1/20 0.58

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
SCHEMBL16487651 0.91 MAPT (1.00) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487654 0.91 THRB (0.87) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487686 0.91 SMN1; SMN2 (1.00) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487679 0.90 THRB (0.78) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487576 0.90 THRB (0.84) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487685 0.90 OGT (0.80) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487665 0.89 SMN1; SMN2 (0.80) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487658 0.89 MAPT (0.74) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487951 0.88 MAPT (0.67) MAPTTP53THRBSMN1; SMN2MEN1
SCHEMBL16487659 0.88 MAPT (0.69) MAPTTP53THRBSMN1; SMN2MEN1

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
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