SCHEMBL13634852

SCHEMBL13634852

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN(C)[C@@H]4CCOC4)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
WDR5 P61964 1/20 0.36
ENPP2 Q13822 3/20 0.33
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
KMT2A Q03164 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CNR2 P34972 1/20 0.32
PIM1 P11309 2/20 0.31
PIM3 Q86V86 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
ITK Q08881 1/20 0.31
PIN1 Q13526 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
SCHEMBL13634647 1.00 HDAC1 (0.36) HDAC1WDR5ENPP2SCDSCD5
SCHEMBL13270788 0.94 WDR5 (0.34) HDAC1WDR5ENPP2SCDSCD5
SCHEMBL13638920 0.93 HDAC1 (0.37) HDAC1WDR5ENPP2SCDSCD5
SCHEMBL13634908 0.93 HDAC1 (0.37) HDAC1WDR5ENPP2SCDSCD5
SCHEMBL13270769 0.92 ITK (0.36) SCDSCD5NAPEPLDCNR2PIM1
SCHEMBL13634877 0.87 PDCD1 (0.35) SCDSCD5KMT2AIRAK4CNR2
SCHEMBL13634774 0.87 PDCD1 (0.35) SCDSCD5KMT2AIRAK4CNR2
SCHEMBL13634767 0.86 SCD (0.37) SCDSCD5NAPEPLDCNR2PIM1
SCHEMBL13270650 0.86 MAPT (0.39) SCDSCD5KMT2AIRAK4
SCHEMBL13634846 0.85 IRAK4 (0.37) SCDSCD5KMT2AIRAK4

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