SCHEMBL12832115

SCHEMBL12832115

CCc1cc(-c2nnc(S)n2-c2ccc(OC)c3c2ccn3C(C)CC)c(O)cc1O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31

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
SCHEMBL421149 0.94 MEN1 (0.32) MEN1GAAKMT2AATP4AATP4B
SCHEMBL445551 0.93 MEN1 (0.32) MEN1GAAKMT2AATP4AATP4B
SCHEMBL445552 0.93 MEN1 (0.32) MEN1GAAKMT2AATP4AATP4B
SCHEMBL12287233 0.89 ATP4A (0.33) ATP4AATP4B
SCHEMBL419870 0.86 HSP90AA1 (0.32)
SCHEMBL14293305 0.84
SCHEMBL13639211 0.83 MAPT (0.33) MEN1KMT2AATP4AATP4B
SCHEMBL421457 0.83 HSP90AA1 (0.32) MEN1GAAKMT2A
SCHEMBL12203088 0.83 HSP90AA1 (0.32) MEN1GAAKMT2A
SCHEMBL421429 0.82 GABRA1 (0.32) MEN1KMT2A

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-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP disclosed