SCHEMBL693287

SCHEMBL693287

CC(C)(C)N(CCCN1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.76
HSP90AB1 P08238 16/20 0.76

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
SCHEMBL655535 1.00 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL656960 0.98 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL694232 0.98 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL16354097 0.96 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL655450 0.91 HSP90AA1 (0.80) HSP90AA1HSP90AB1
SCHEMBL655449 0.91 HSP90AA1 (0.80) HSP90AA1HSP90AB1
SCHEMBL16354099 0.90 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL658662 0.88 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL16354235 0.87 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL16354233 0.87 HSP90AA1 (0.81) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US claimed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP claimed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP claimed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO claimed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO disclosed