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Sugi Predict / Compounds / SCHEMBL13833713

SCHEMBL13833713

SCHEMBL13833713

C=C(c1cc(C(C)C)c(O)cc1O)N(C(=O)NN)c1ccc2c(ccn2C)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 20/20 0.42
▸ HSP90AB1 P08238 20/20 0.42
▸ HSP90B1 P14625 1/20 0.40
▸ TRAP1 Q12931 1/20 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
SCHEMBL19236344 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL13477645 0.78 HSP90AA1 (0.32) HSP90AA1
SCHEMBL13477709 0.78 MTNR1A (0.35) HSP90AA1
SCHEMBL12634465 0.78 HSP90AA1 (0.43) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL21644516 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL14106636 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL21644562 0.75 MET (0.58) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL14342524 0.74 HSP90AA1 (0.37) HSP90AA1HSP90AB1
SCHEMBL14106949 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL16116986 0.73 HSP90AA1 (0.40) HSP90AA1HSP90AB1HSP90B1TRAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013006864-A2 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-01-10 — — WO disclosed
WO-2012155063-A1 TREATING CANCER WITH AN HSP90 INHIBITORY COMPOUND SYNTA PHARMACEUTICALS CORP. (US) 2012-11-15 — — WO disclosed