SCHEMBL3629975

SCHEMBL3629975

CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(NC4CNCC(C(=O)OC(C)(C)C)C4)c3)c2C1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.69
HSP90AB1 P08238 17/20 0.69
HSP90B1 P14625 4/20 0.69
TRAP1 Q12931 4/20 0.69

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
SCHEMBL3630975 0.90 HSP90AB1 (0.81) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3633945 0.88 HSP90AB1 (0.53) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL8139380 0.85 HSP90AB1 (0.76) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3632064 0.85 HSP90AB1 (0.76) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3632853 0.85 HSP90AB1 (0.76) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1747106 0.84 HSP90AA1 (0.84) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3630178 0.83 HSP90AB1 (0.88) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1221000 0.83 HSP90AB1 (0.82) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3631011 0.83 HSP90AB1 (0.88) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL19629104 0.83 HSP90AB1 (0.86) HSP90AA1HSP90AB1HSP90B1TRAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed