SCHEMBL3715889

SCHEMBL3715889

COCCOCOc1cc(OCOCCOC)c(-c2cc(NC(=O)O)no2)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.47
HSP90AB1 P08238 10/20 0.47
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
CXCR1 P25024 1/20 0.35

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
SCHEMBL3715890 1.00 HSP90AA1 (0.47) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL16388413 0.90 HSP90AA1 (0.44) HSP90AA1HSP90AB1NPC1RAB9AMAPT
SCHEMBL16388043 0.89 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
Potassium Ion SCHEMBL657320 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL655367 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1RAB9AMAPTALDH1A1
SCHEMBL657886 0.85 HSP90AA1 (0.56) HSP90AA1HSP90AB1LMNA
SCHEMBL656133 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL656132 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL656515 0.78 HSP90AA1 (0.51) HSP90AA1HSP90AB1RAB9AMAPT
SCHEMBL658893 0.77 HSP90AA1 (0.52) 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 3 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 disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO disclosed