SCHEMBL29583312

SCHEMBL29583312

CCCCNc1ccc2c3c(cc(-c4cccc(-c5nnc(C)nn5)c4)cc13)C(=O)N(CCNC(=O)OC(C)(C)C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ EPHA2 P29317 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL24340557 0.87 MEN1 (0.61) MEN1RGS12USP2POLBMAPT
SCHEMBL24341455 0.86 DYRK3 (0.57) MEN1RGS12USP2POLBMAPT
Trifluoroacetic Acid SCHEMBL29583374 0.83 ATM (0.47) MEN1RGS12USP2POLBMAPT
SCHEMBL7524308 0.82 KMT2A (0.69) MEN1RGS12USP2POLBMAPT
SCHEMBL29583729 0.80 MEN1 (0.51) MEN1RGS12USP2POLBMAPT
SCHEMBL24340556 0.79 MEN1 (0.59) MEN1RGS12USP2POLBMAPT
SCHEMBL24340716 0.78 HTT (0.49) MEN1RGS12USP2POLBMAPT
SCHEMBL24340736 0.76 MEN1 (0.62) MEN1RGS12USP2POLBMAPT
SCHEMBL24340735 0.75 MEN1 (0.57) MEN1RGS12USP2POLBMAPT
SCHEMBL24340555 0.71 MEN1 (0.54) MEN1RGS12USP2POLBMAPT

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-2022077052-A1 PROBE COMPOUNDS FOR MITOCHONDIAL MEMBRANE IMAGING THE UNIVERSITY OF SYDNEY (AU) 2022-04-21 — — WO disclosed
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