SCHEMBL14218385

SCHEMBL14218385

C=CN(/C=C\N)c1ccc(-n2c(S)nnc2-c2cc(CC)c(O)cc2O)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL1148698 0.81 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL1148726 0.80 ALDH1A1 (0.42) HSP90AA1HSP90AB1
SCHEMBL1148637 0.78 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL1148450 0.75 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL13983495 0.74 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL13983498 0.74 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL1147910 0.72 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL1148574 0.72 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL1148383 0.72 MAPT (0.41) HSP90AA1HSP90AB1
SCHEMBL1148650 0.72 KDM4E (0.40) HSP90AA1HSP90AB1

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-2008051416-A2 COMPOUNDS THAT INHIBIT THE ACTIVITY OF HSP90 FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2008-05-02 WO disclosed