SCHEMBL16487941

SCHEMBL16487941

Cc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.84
▸ SMN1; SMN2 Q16637 2/20 0.80
▸ TP53 P04637 2/20 0.80
▸ OGT O15294 8/20 0.80
▸ POLB P06746 2/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ THRB P10828 1/20 0.76
▸ ALDH1A1 P00352 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ GAA P10253 1/20 0.64

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
SCHEMBL16487950 0.92 MAPT (1.00) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16488006 0.91 OGT (0.79) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16487971 0.91 OGT (0.79) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16487588 0.91 MAPT (0.81) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16488007 0.90 MAPT (0.80) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16488020 0.89 MAPT (0.79) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16487942 0.89 SMN1; SMN2 (1.00) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL10132041 0.89 OGT (1.00) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16487579 0.89 MAPT (0.79) MAPTSMN1; SMN2TP53OGTPOLB
SCHEMBL16488023 0.88 OGT (0.75) MAPTSMN1; SMN2TP53OGTPOLB

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 1 patent. 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
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