SCHEMBL16487657

SCHEMBL16487657

CC1CCCC(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ THRB P10828 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ MAPT P10636 5/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ TP53 P04637 1/20 0.64
▸ LMNA P02545 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ OGT O15294 6/20 0.56
▸ POLB P06746 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL16488030 0.94 MEN1 (0.69) MEN1KMT2ACYP3A4CYP2D6THRB
SCHEMBL16488015 0.88 OGT (0.63) SMN1; SMN2MAPTALDH1A1TP53TSHR
SCHEMBL16487577 0.86 KMT2A (0.72) MEN1KMT2ACYP3A4CYP2D6THRB
SCHEMBL16487667 0.85 MEN1 (0.71) MEN1KMT2ACYP3A4CYP2D6THRB
SCHEMBL16487580 0.85 KMT2A (0.71) MEN1KMT2ACYP3A4CYP2D6THRB
SCHEMBL16487946 0.85 KMT2A (0.71) MEN1KMT2ACYP3A4CYP2D6THRB
SCHEMBL16487688 0.84 LMNA (0.65) MEN1KMT2ACYP3A4CYP2D6THRB
SCHEMBL16487660 0.82 KMT2A (0.66) MEN1KMT2ACYP3A4CYP2D6THRB
SCHEMBL16487984 0.81 OGT (0.65) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL16487595 0.81 MEN1 (1.00) MEN1KMT2ACYP3A4CYP2D6THRB

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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