SCHEMBL16487609

SCHEMBL16487609

O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCCC3=CCCCC3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
MEN1 O00255 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
KMT2A Q03164 1/20 0.65
MAPT P10636 4/20 0.64
THRB P10828 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TP53 P04637 1/20 0.61
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 2/20 0.56
ALOX15 P16050 1/20 0.56
OGT O15294 4/20 0.55

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 0.89 ALDH1A1 (0.80) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487616 0.89 ALDH1A1 (0.80) ALDH1A1MAPTSMN1; SMN2TP53TSHR
SCHEMBL16487635 0.86 ALDH1A1 (0.76) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487632 0.86 SMN1; SMN2 (0.79) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487575 0.86 ALDH1A1 (0.75) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487648 0.85 MEN1 (0.76) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487664 0.84 ALDH1A1 (0.72) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487676 0.84 MEN1 (0.77) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487678 0.83 ALDH1A1 (0.71) ALDH1A1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL16487685 0.81 OGT (0.80) ALDH1A1MEN1CYP3A4CYP2D6KMT2A

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