SCHEMBL16124807

SCHEMBL16124807

CCN(CC)c1ccc2c(-c3ccc(NC(=S)Nc4cccc(B(O)O)c4)cc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.55
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ CA1 P00915 11/20 0.48
▸ CA2 P00918 11/20 0.48
▸ CA9 Q16790 11/20 0.48
▸ CA12 O43570 5/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ FPR2 P25090 4/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ AVPR2 P30518 1/20 0.41
▸ CA7 P43166 1/20 0.41

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
SCHEMBL16124815 0.95 TLR7 (0.50) TLR7MEN1USP2POLBPPARG
SCHEMBL18099762 0.87 CA1 (0.48) TLR7CA1CA2CA9CA12
SCHEMBL24076836 0.84 MEN1 (0.55) TLR7MEN1USP2POLBPPARG
SCHEMBL24076838 0.83 MEN1 (0.54) TLR7MEN1USP2POLBPPARG
SCHEMBL3903552 0.80 MEN1 (0.61) TLR7MEN1USP2POLBPPARG
SCHEMBL29593395 0.80 MEN1 (0.61) TLR7MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL18617 0.79 MEN1 (0.60) TLR7MEN1USP2POLBPPARG
SCHEMBL16253380 0.79 MEN1 (0.60) TLR7MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL30207638 0.79 MEN1 (0.60) TLR7MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL29354092 0.79 MEN1 (0.60) TLR7MEN1USP2POLBPPARG

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-20160282355-A1 MATERIALS AND METHODS FOR ANALYSING GLYCATION UNIV BATH (GB) 2016-09-29 — — US disclosed
WO-2014147395-A1 MATERIALS AND METHODS FOR ANALYSING GLYCATION THE UNIVERSITY OF BATH (GB) 2014-09-25 — — WO disclosed
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