SCHEMBL13634908

SCHEMBL13634908

CCCNC(=O)c1cc(CN(C)C2CCOC2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
WDR5 P61964 1/20 0.35
ENPP2 Q13822 2/20 0.34
GLS O94925 1/20 0.34
KMT2A Q03164 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
PIN1 Q13526 2/20 0.32

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
SCHEMBL13638920 0.95 HDAC1 (0.37) HDAC1WDR5ENPP2KMT2ANAPEPLD
SCHEMBL13634647 0.93 HDAC1 (0.36) HDAC1WDR5ENPP2KMT2ANAPEPLD
SCHEMBL13634852 0.93 HDAC1 (0.36) HDAC1WDR5ENPP2KMT2ANAPEPLD
SCHEMBL13270788 0.87 WDR5 (0.34) HDAC1WDR5ENPP2NAPEPLDSCD
SCHEMBL13634925 0.87 PDCD1 (0.36) GLSKMT2AIRAK4SCDSCD5
SCHEMBL13634760 0.86 GLS (0.40) GLSNAPEPLDSCDSCD5PIN1
SCHEMBL13634751 0.85 GLS (0.39) GLSNAPEPLDSCDSCD5PIN1
SCHEMBL13634924 0.85 GLS (0.39) GLSNAPEPLDSCDSCD5PIN1
SCHEMBL13634884 0.85 S1PR1 (0.40) KMT2AIRAK4
SCHEMBL13634750 0.85 IRAK4 (0.38) GLSKMT2AIRAK4SCDSCD5

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed