SCHEMBL19817552

SCHEMBL19817552

Cc1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(NC(=S)Nc3ccc(-c4c5ccc(=[N+](C)C)cc-5oc5cc(N(C)C)ccc45)cc3)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CA1 P00915 7/20 0.46
▸ CA2 P00918 7/20 0.46
▸ CA9 Q16790 7/20 0.46
▸ CA12 O43570 4/20 0.46
▸ CA14 Q9ULX7 1/20 0.43
▸ GBA1 P04062 3/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ ITPR1 Q14643 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTR3A P46098 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL19817550 0.83 CA1 (0.52) MEN1KMT2ACA1CA2CA9
SCHEMBL16272342 0.79 CA1 (0.56) MEN1KMT2ACA1CA2CA9
SCHEMBL17124186 0.75 MEN1 (0.69) MEN1BLMKMT2ATHRBRECQL
SCHEMBL19817551 0.73 CA9 (0.57) MEN1KMT2ACA1CA2CA9
Acetic Acid SCHEMBL17003739 0.73 MEN1 (0.65) MEN1BLMKMT2ATHRBRECQL
SCHEMBL16272749 0.73 CA9 (0.67) CA1CA2CA9CA12CA14
SCHEMBL14013408 0.68 MEN1 (0.79) MEN1BLMKMT2ATHRBRECQL
SCHEMBL16272339 0.68 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL13525202 0.68 MEN1 (1.00) MEN1BLMKMT2ATHRBRECQL
SCHEMBL12192021 0.68 MEN1 (0.74) 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-9879300-B2 Method and array for identifying histone-code-related analytes UVic Industry Partnerships (CA) 2018-01-30 — — US disclosed
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