SCHEMBL18638481

SCHEMBL18638481

CN(C)c1ccc2c(-c3ccccc3OC(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.67
▸ BLM P54132 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ THRB P10828 1/20 0.67
▸ RECQL P46063 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ P2RY6 Q15077 1/20 0.51
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ ABCB1 P08183 2/20 0.43
▸ ITPR1 Q14643 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ USP2 O75604 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ P2RY2 P41231 1/20 0.39
▸ GBA1 P04062 3/20 0.39

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
SCHEMBL12252414 0.85 MEN1 (0.66) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL2054818 0.85 MEN1 (0.71) MEN1BLMKMT2ATHRBRECQL
SCHEMBL11987803 0.84 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
Rhodamine Ii SCHEMBL30320900 0.82 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
Rhodamine Ii SCHEMBL12310066 0.82 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14399201 0.82 MEN1 (0.67) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL29838750 0.82 P2RY6 (0.67) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL13815486 0.82 P2RY6 (0.67) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL30091907 0.81 P2RY6 (0.66) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL29587824 0.81 P2RY6 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2395358-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2017-03-29 — — EP disclosed
EP-3141905-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2017-03-15 — — EP disclosed
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