SCHEMBL16487692

SCHEMBL16487692

O=C1CCc2cc(S(=O)(=O)NC(C(=O)N3CCc4ccccc4C3)c3ccccc3)ccc2N1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OGT O15294 14/20 0.71
POLB P06746 2/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 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
SCHEMBL16487614 0.87 KMT2A (0.65) OGTMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL4544745 0.83 OGT (1.00) OGTPOLBMAPTTDP1TP53
SCHEMBL16487694 0.83 OGT (0.84) OGTPOLBMAPTTDP1TP53
SCHEMBL4544765 0.82 OGT (1.00) OGTPOLBMAPTTDP1TP53
SCHEMBL4544693 0.82 OGT (1.00) OGTPOLBMAPTTDP1TP53
SCHEMBL16487689 0.82 OGT (0.84) OGTPOLBMAPTTDP1TP53
SCHEMBL16487638 0.82 OGT (0.66) OGTPOLBMAPTTDP1TP53
SCHEMBL4544662 0.82 OGT (1.00) OGTPOLBMAPTTDP1TP53
SCHEMBL4544769 0.82 OGT (1.00) OGTPOLBMAPTTDP1ALDH1A1
SCHEMBL16487623 0.81 OGT (0.72) OGTPOLBMAPTTDP1TP53

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