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SCHEMBL2855460

SCHEMBL2855460

CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(NC(=S)NC(=O)O)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 12/20 0.45
▸ MET P08581 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL4282370 0.85 MAPT (0.43) METNPC1RAB9APOLBMAPT
SCHEMBL4282325 0.83 NPC1 (0.39) METNPC1RAB9AMAPTKDR
SCHEMBL4280655 0.83 BRAF (0.43) METMAPTKDR
SCHEMBL3513086 0.82 CDK8 (0.41) CDK8NPC1RAB9APOLBKDR
SCHEMBL30435041 0.80 CDK8 (0.48) CDK8
SCHEMBL4280855 0.80 MET (0.43) CDK8METNPC1RAB9AMAPT
SCHEMBL4880831 0.80 HTT (0.51) CDK8NPC1RAB9AKDR
SCHEMBL4889660 0.79 CDK8 (0.67) CDK8
SCHEMBL4287982 0.79 BRAF (0.57) KDR
SCHEMBL2855873 0.79 GAA (0.53) CDK8RAB9AMAPTKDR

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-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 — — EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 — — EP disclosed