SCHEMBL16487577

SCHEMBL16487577

O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc2N1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ ALDH1A1 P00352 5/20 0.70
▸ MAPT P10636 4/20 0.70
▸ THRB P10828 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ TP53 P04637 1/20 0.68
▸ MCL1 Q07820 1/20 0.63
▸ LMNA P02545 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ OGT O15294 6/20 0.61

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
SCHEMBL16487946 0.99 KMT2A (0.71) KMT2AMEN1CYP3A4CYP2D6ALDH1A1
SCHEMBL16487580 0.99 KMT2A (0.71) KMT2AMEN1CYP3A4CYP2D6ALDH1A1
SCHEMBL16487667 0.92 MEN1 (0.71) KMT2AMEN1CYP3A4CYP2D6ALDH1A1
SCHEMBL16488030 0.89 MEN1 (0.69) KMT2AMEN1CYP3A4CYP2D6ALDH1A1
SCHEMBL16487970 0.88 MEN1 (0.56) KMT2AMEN1CYP3A4CYP2D6ALDH1A1
SCHEMBL16487660 0.87 KMT2A (0.66) KMT2AMEN1CYP3A4CYP2D6ALDH1A1
SCHEMBL16488009 0.86 OGT (0.67) ALDH1A1MAPTSMN1; SMN2TP53TSHR
SCHEMBL16487657 0.86 MEN1 (0.67) KMT2AMEN1CYP3A4CYP2D6ALDH1A1
SCHEMBL16487605 0.85 OGT (0.69) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16487610 0.85 OGT (0.69) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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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