SCHEMBL13638896

SCHEMBL13638896

CCN(CC)Cc1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(C(=O)NCCOC)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.35
ACHE P22303 1/20 0.34
KMT2A Q03164 2/20 0.34
OPRK1 P41145 1/20 0.34
FGFR1 P11362 1/20 0.34
SCD O00767 1/20 0.34
GLS O94925 3/20 0.34
F10 P00742 1/20 0.34
MEN1 O00255 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL13638817 0.93 CYP2C9 (0.35) GPR6KMT2AOPRK1FGFR1SCD
SCHEMBL13634599 0.92 GPR6 (0.37) GPR6KMT2AOPRK1SCDGLS
SCHEMBL13638926 0.90 GPR6 (0.37) GPR6KMT2AOPRK1SCDMEN1
SCHEMBL13634684 0.88 MCHR1 (0.39) FGFR1F10IRAK4
SCHEMBL13638989 0.88 MCHR1 (0.35) GPR6KMT2AOPRK1SCDMEN1
SCHEMBL13638883 0.88 MCHR1 (0.35) GPR6KMT2AOPRK1FGFR1SCD
SCHEMBL13638933 0.88 MCHR1 (0.39) KMT2AGLSF10
SCHEMBL13638765 0.87 MCHR1 (0.37) GPR6KMT2AOPRK1SCDMEN1
SCHEMBL13638938 0.87 MCHR1 (0.37) GPR6KMT2AOPRK1SCDMEN1
SCHEMBL13638826 0.87 MCHR1 (0.40) KMT2AOPRK1

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