SCHEMBL13634925

SCHEMBL13634925

CCCNC(=O)c1cc(CN[C@H]2CCOC2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
GLS O94925 1/20 0.35
METTL3 Q86U44 1/20 0.34
KMT2A Q03164 1/20 0.34
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
GUCY1B2 O75343 3/20 0.33
GUCY1A2 P33402 3/20 0.33
GUCY1A1 Q02108 3/20 0.33
GUCY1B1 Q02153 3/20 0.33
GPR6 P46095 1/20 0.33

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
SCHEMBL13638780 0.95 PDCD1 (0.36) PDCD1CD274METTL3KMT2ASCD
SCHEMBL13634774 0.93 PDCD1 (0.35) PDCD1CD274METTL3KMT2ASCD
SCHEMBL13634877 0.93 PDCD1 (0.35) PDCD1CD274METTL3KMT2ASCD
SCHEMBL13634760 0.87 GLS (0.40) GLSSCDSCD5GPR6
SCHEMBL13634908 0.87 HDAC1 (0.37) GLSKMT2ASCDSCD5IRAK4
SCHEMBL13634751 0.86 GLS (0.39) GLSSCDSCD5GPR6
SCHEMBL13634924 0.86 GLS (0.39) GLSSCDSCD5GPR6
SCHEMBL13634884 0.86 S1PR1 (0.40) KMT2AIRAK4
SCHEMBL13634750 0.86 IRAK4 (0.38) GLSKMT2ASCDSCD5IRAK4
SCHEMBL13634566 0.85 SCD (0.35) CD274GLSKMT2ASCDSCD5

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