SCHEMBL13639211

SCHEMBL13639211

CCOc1ccc(-n2c(S)nnc2-c2cc(CC)c(OC)cc2O)c2ccn(C(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL419870 0.92 HSP90AA1 (0.32) MAPT
SCHEMBL421149 0.90 MEN1 (0.32) MEN1KMT2AATP4AATP4BNPSR1
SCHEMBL445551 0.89 MEN1 (0.32) MEN1KMT2AATP4AATP4B
SCHEMBL445552 0.89 MEN1 (0.32) MEN1KMT2AATP4AATP4B
SCHEMBL12287233 0.86 ATP4A (0.33) ATP4AATP4B
SCHEMBL14293305 0.85
SCHEMBL421429 0.83 GABRA1 (0.32) MEN1KMT2A
SCHEMBL12832115 0.83 MEN1 (0.32) MEN1KMT2AATP4AATP4B
SCHEMBL420136 0.82 HSP90AA1 (0.39)
SCHEMBL421457 0.81 HSP90AA1 (0.32) MAPTMEN1KMT2ANPSR1POLB

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-1817295-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2012-11-07 EP disclosed