SCHEMBL3972571

SCHEMBL3972571

CCc1cc2c(-c3c(S)nnn3-c3ccc(O)cc3O)cccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32

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
SCHEMBL3978017 0.84 HSP90AA1 (0.34) HSP90AA1MGAMGAASIMGAM2
SCHEMBL3971042 0.81 HSP90AA1 (0.32) HSP90AA1
SCHEMBL5080669 0.81 HSP90AA1 (0.34) HSP90AA1
SCHEMBL1147785 0.80 PIK3CD (0.36) HSP90AA1
SCHEMBL1147749 0.79 HSP90AA1 (0.41) HSP90AA1
SCHEMBL930756 0.78 ESR1 (0.39) HSP90AA1
SCHEMBL1148407 0.78 GAA (0.36) HSP90AA1MGAMGAASIMGAM2
SCHEMBL1148369 0.78 HSD11B1 (0.32) HSP90AA1
SCHEMBL1148511 0.77 CNR1 (0.32)
SCHEMBL1147775 0.77 KCNN4 (0.38) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed