SCHEMBL16487648

SCHEMBL16487648

CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
KMT2A Q03164 1/20 0.76
ALDH1A1 P00352 3/20 0.73
THRB P10828 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
MAPT P10636 4/20 0.71
TP53 P04637 1/20 0.71
LMNA P02545 1/20 0.70
TSHR P16473 1/20 0.70
GAA P10253 1/20 0.64
OGT O15294 5/20 0.62
POLB P06746 1/20 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
SCHEMBL16487600 0.92 ALDH1A1 (0.80) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487575 0.90 ALDH1A1 (0.75) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487676 0.90 MEN1 (0.77) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487678 0.89 ALDH1A1 (0.71) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487632 0.89 SMN1; SMN2 (0.79) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487653 0.88 THRB (0.68) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487664 0.88 ALDH1A1 (0.72) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487590 0.88 MEN1 (0.74) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487663 0.87 MEN1 (0.68) MEN1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL16487635 0.87 ALDH1A1 (0.76) MEN1CYP3A4CYP2D6KMT2AALDH1A1

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