SCHEMBL17012725

SCHEMBL17012725

C/N=c1\ccc2c(-c3ccc([N+](=O)[O-])cc3)c3ccc(N(C)C)cc3oc-2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ ACHE P22303 1/20 0.41
▸ P2RY6 Q15077 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL17124185 0.85 MEN1 (0.72) MEN1KMT2ATDP1BLMTHRB
SCHEMBL18133212 0.84 MEN1 (0.69) MEN1KMT2ATDP1BLMTHRB
Trifluoroacetic Acid SCHEMBL17003731 0.78 MEN1 (0.62) MEN1KMT2ATDP1BLMTHRB
SCHEMBL20346288 0.75 MEN1 (0.50) MEN1KMT2ATDP1BLMTHRB
SCHEMBL17003732 0.74 MEN1 (0.52) MEN1KMT2ATDP1BLMTHRB
SCHEMBL14038384 0.74 TDP1 (0.44) MEN1KMT2ATDP1BLMTHRB
SCHEMBL21648580 0.74 MEN1 (0.50) MEN1KMT2ATDP1BLMTHRB
SCHEMBL19520078 0.73 MEN1 (0.50) MEN1KMT2ATDP1BLMTHRB
SCHEMBL9883096 0.73 MEN1 (0.43) MEN1KMT2ATDP1BLMTHRB
SCHEMBL14959448 0.73 MEN1 (0.50) MEN1KMT2ATDP1BLMTHRB

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
EP-2907877-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION Japan Science and Technology Agency (JP) 2015-08-19 — — EP disclosed
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