SCHEMBL13845818

SCHEMBL13845818

Bc1cc2c(cc1Sc1nc3c(N)ncnc3[nH]1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 16/20 0.37
HSP90AA1 P07900 16/20 0.37
ERBB2 P04626 4/20 0.37
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL13845812 0.93 HSP90AB1 (0.37) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL3745457 0.86 HSP90AA1 (0.50) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL1670478 0.86 HSP90AB1 (0.43) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL3116014 0.86 HSP90AA1 (0.44) HSP90AB1HSP90AA1ERBB2HDAC3HDAC4
SCHEMBL3751778 0.83 HSP90AA1 (0.41) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL3525386 0.81 MAPT (0.43) HSP90AB1HSP90AA1ERBB2LMNA
SCHEMBL17781994 0.81 PTGIR (0.41) HSP90AB1HSP90AA1ERBB2LMNATSHR
SCHEMBL14067096 0.79 HSP90AA1 (0.43) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL3122649 0.79 HSP90AB1 (0.50) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL30599262 0.79 HSP90AB1 (0.50) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1

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