SCHEMBL27308727

SCHEMBL27308727

CC(C)c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.63
▸ BLM P54132 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ THRB P10828 2/20 0.63
▸ RECQL P46063 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ USP2 O75604 2/20 0.51
▸ APAF1 O14727 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ P2RY6 Q15077 1/20 0.45
▸ ABCB1 P08183 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36

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
SCHEMBL14013309 0.82 MEN1 (0.66) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13018157 0.80 MEN1 (0.63) MEN1BLMKMT2ATHRBRECQL
SCHEMBL16574888 0.79 MEN1 (0.62) MEN1BLMKMT2ATHRBRECQL
SCHEMBL15216730 0.78 MEN1 (0.61) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13933225 0.78 MEN1 (0.71) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13525202 0.78 MEN1 (1.00) MEN1BLMKMT2ATHRBRECQL
Hydrochloric Acid SCHEMBL16295013 0.77 MEN1 (0.98) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13932647 0.76 MEN1 (0.71) MEN1BLMKMT2ATHRBRECQL
SCHEMBL13428244 0.76 MEN1 (0.75) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14013408 0.76 MEN1 (0.79) 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
WO-2024073568-A2 EVOLUTION OF FLUOROGENIC SENSORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-04 — — WO disclosed
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