SCHEMBL14618520

SCHEMBL14618520

CCc1cc(-c2cnc(S)n2-c2ccc(OC)c3c2ccn3C(C)C)c(O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 3/20 0.35
▸ ATP4B P51164 3/20 0.35
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL1148677 0.93 KMT2A (0.33) ATP4AATP4BKMT2AMEN1PKM
SCHEMBL1148508 0.82 KMT2A (0.33) ATP4AATP4BKMT2AMEN1PKM
SCHEMBL12287233 0.82 ATP4A (0.33) ATP4AATP4B
SCHEMBL421149 0.80 MEN1 (0.32) ATP4AATP4BKMT2AMEN1GAA
SCHEMBL445552 0.79 MEN1 (0.32) ATP4AATP4BKMT2AMEN1GAA
SCHEMBL14525272 0.79 CCNB2 (0.35) ATP4AATP4BKMT2AMEN1GAA
SCHEMBL445551 0.79 MEN1 (0.32) ATP4AATP4BKMT2AMEN1GAA
SCHEMBL13639211 0.77 MAPT (0.33) ATP4AATP4BKMT2AMEN1
SCHEMBL1148670 0.77 HSP90AA1 (0.44) ATP4AATP4B
SCHEMBL12287725 0.75 KDM4E (0.43) KMT2AMEN1NCOA1GAA

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-2007021877-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 — — WO disclosed
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