SCHEMBL16487591

SCHEMBL16487591

Cc1ccc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)nc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.76
TSHR P16473 1/20 0.76
HSD17B10 Q99714 1/20 0.76
SMN1; SMN2 Q16637 2/20 0.74
TP53 P04637 1/20 0.74
OGT O15294 9/20 0.74
POLB P06746 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
MAPT P10636 1/20 0.70
THRB P10828 1/20 0.61
GAA P10253 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
SCHEMBL16487941 0.88 MAPT (0.84) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL16487644 0.87 SMN1; SMN2 (0.80) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL16487942 0.85 SMN1; SMN2 (1.00) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL16488006 0.85 OGT (0.79) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL10132041 0.85 OGT (1.00) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL16487947 0.84 TP53 (0.85) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL10131852 0.84 OGT (1.00) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL4547301 0.84 OGT (1.00) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL16487943 0.84 OGT (0.77) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53
SCHEMBL16487971 0.83 OGT (0.79) ALDH1A1TSHRHSD17B10SMN1; SMN2TP53

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