SCHEMBL16377458

SCHEMBL16377458

Cc1cccc(-c2c(S)n[nH]c2-c2ccc(O)cc2O)c1C/C=N/C(=O)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.32
▸ GLO1 Q04760 1/20 0.31
▸ MGAM O43451 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SI P14410 1/20 0.30
▸ MGAM2 Q2M2H8 1/20 0.30
▸ EIF2AK1 Q9BQI3 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
SCHEMBL16377513 0.83 GLO1 (0.33) HSP90AA1GLO1MGAMGAASI
SCHEMBL16377514 0.81 MAPT (0.34) HSP90AA1GLO1MGAMGAASI
SCHEMBL16377501 0.73 HSP90AA1 (0.39) HSP90AA1GAA
SCHEMBL1342355 0.69 JAK1 (0.32) HSP90AA1GAA
SCHEMBL12553694 0.65 SIRT5 (0.31) GAA
SCHEMBL1148560 0.64 PIK3CD (0.38) MGAMGAASIMGAM2
SCHEMBL12553693 0.62 CHEK1 (0.36) HSP90AA1GAA
SCHEMBL1148655 0.62 CA12 (0.35) HSP90AA1GAA
SCHEMBL1342318 0.61 SIRT5 (0.35) HSP90AA1GAA
SCHEMBL12553695 0.61 ESR1 (0.39) HSP90AA1GAA

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
US-8921407-B2 Pyrazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-30 — — US disclosed
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