SCHEMBL14958553

SCHEMBL14958553

CN(C)c1ccc2c(-c3cc(N=C=S)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ P2RY6 Q15077 1/20 0.51
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA14 Q9ULX7 1/20 0.42
▸ ITPR1 Q14643 1/20 0.39
▸ GBA1 P04062 2/20 0.38
▸ SLC5A2 P31639 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ P2RY2 P41231 1/20 0.37

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
SCHEMBL14088823 0.94 MEN1 (0.56) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25256296 0.92 P2RY6 (0.59) MEN1BLMKMT2ATHRBRECQL
SCHEMBL29555004 0.88 P2RY6 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL18713197 0.84 MEN1 (0.62) MEN1BLMKMT2ATHRBRECQL
SCHEMBL29356053 0.84 MEN1 (0.54) MEN1BLMKMT2ATHRBRECQL
SCHEMBL7973011 0.83 USP2 (0.51) MEN1BLMKMT2ATHRBRECQL
SCHEMBL16731378 0.83 MEN1 (0.60) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL2054818 0.82 MEN1 (0.71) MEN1BLMKMT2ATHRBRECQL
SCHEMBL12674703 0.82 MEN1 (0.59) MEN1BLMKMT2ATHRBRECQL
SCHEMBL29357346 0.82 P2RY6 (0.63) MEN1BLMKMT2ATHRBRECQL

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-8445288-B2 Solid-phase detection of terminal monosaccharides cleaved from glycosylated substrates MERCK PATENT GMBH (DE) 2013-05-21 — — US disclosed
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