SCHEMBL13845796

SCHEMBL13845796

C[S+]([O-])N1CCCCC1CCn1c(Sc2cc3c(cc2C#N)OCO3)nc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.65
HSP90AB1 P08238 20/20 0.65

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
SCHEMBL3757759 0.87 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL3527099 0.86 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL1669783 0.82 HSP90AB1 (0.63) HSP90AA1HSP90AB1
SCHEMBL3527160 0.81 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL13050271 0.80 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL3124039 0.80 HSP90AA1 (0.80) HSP90AA1HSP90AB1
SCHEMBL3741012 0.79 HSP90AA1 (0.78) HSP90AA1HSP90AB1
SCHEMBL3528412 0.78 HSP90AA1 (0.70) HSP90AA1HSP90AB1
SCHEMBL3748340 0.78 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL11909259 0.78 HSP90AB1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed