SCHEMBL16487604

SCHEMBL16487604

COc1ccc(C)cc1NC(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.81
TP53 P04637 1/20 0.81
OGT O15294 9/20 0.77
POLB P06746 2/20 0.70
TDP1 Q9NUW8 1/20 0.69
MAPT P10636 2/20 0.67
ALDH1A1 P00352 1/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
THRB P10828 1/20 0.58
GAA P10253 1/20 0.57

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
SCHEMBL16487976 0.91 POLB (0.69) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16487942 0.90 SMN1; SMN2 (1.00) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16488010 0.87 MAPT (0.75) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16487948 0.87 POLB (0.70) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL4547301 0.87 OGT (1.00) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16487941 0.86 MAPT (0.84) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16487617 0.86 MAPT (0.75) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16487947 0.85 TP53 (0.85) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16488006 0.85 OGT (0.79) SMN1; SMN2TP53OGTPOLBTDP1
SCHEMBL16487572 0.84 MAPT (0.75) SMN1; SMN2TP53OGTPOLBTDP1

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