SCHEMBL3978017

SCHEMBL3978017

CC(C)c1cc2c(-c3c(S)nnn3-c3ccc(O)cc3O)cccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 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
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL3973742 0.84 DAO (0.34) HSP90AA1
SCHEMBL3972571 0.84 HSP90AA1 (0.34) HSP90AA1MGAMGAASIMGAM2
SCHEMBL5080669 0.81 HSP90AA1 (0.34) HSP90AA1
SCHEMBL1148380 0.80 PDE10A (0.35)
SCHEMBL1147785 0.80 PIK3CD (0.36) HSP90AA1
SCHEMBL3971042 0.79 HSP90AA1 (0.32) HSP90AA1
SCHEMBL1147775 0.79 KCNN4 (0.38) GAA
SCHEMBL930756 0.78 ESR1 (0.39) HSP90AA1
SCHEMBL2521030 0.78 DHODH (0.32) MGAMGAASIMGAM2
SCHEMBL1148407 0.78 GAA (0.36) HSP90AA1MGAMGAASIMGAM2

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 9 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
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 EP disclosed
WO-2008112199-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. (US) 2008-09-18 WO disclosed
WO-2008051416-A2 COMPOUNDS THAT INHIBIT THE ACTIVITY OF HSP90 FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2008-05-02 WO disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed