SCHEMBL14618216

SCHEMBL14618216

CCc1cc(-c2cnc(S)n2-c2ccc(OC)c(N(C)CC)c2)c(O)cc1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.32
▸ HSP90AB1 P08238 3/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BRD9 Q9H8M2 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL1148578 0.93 HSP90AA1 (0.36) HSP90AA1HSP90AB1LMNAMAPTBRD9
SCHEMBL14456183 0.85 LMNA (0.34) LMNAMAPTBRD9ALDH1A1MEN1
SCHEMBL1148791 0.85 HSP90AA1 (0.35) HSP90AA1HSP90AB1LMNAMAPTBRD9
SCHEMBL1148714 0.84 HSP90AA1 (0.36) HSP90AA1HSP90AB1LMNAMAPTBRD9
SCHEMBL1147829 0.83 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL1148403 0.83 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL1147959 0.81 HSP90AA1 (0.35) HSP90AA1HSP90AB1BRD9MEN1KMT2A
SCHEMBL1147973 0.81 HSP90AA1 (0.36) HSP90AA1HSP90AB1LMNAMAPTBRD9
SCHEMBL13108657 0.80 CRHR1 (0.34) HSP90AA1HSP90AB1MAPTBRD9MEN1
SCHEMBL1148760 0.79 CYP3A4 (0.35) HSP90AA1HSP90AB1LMNAMAPTBRD9

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-2007021877-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 — — WO disclosed
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