SCHEMBL13634832

SCHEMBL13634832

CCCNC(=O)c1cc(CN2C(C)CCC2C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.39
GLS O94925 2/20 0.39
PARP1 P09874 1/20 0.36
TNK1 Q13470 1/20 0.36
MCHR1 Q99705 1/20 0.35
SCD O00767 2/20 0.34
CHEK1 O14757 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2J2 P51589 1/20 0.33
FGFR1 P11362 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 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
SCHEMBL13634706 0.95 GPR6 (0.37) GPR6GLSPARP1TNK1MCHR1
SCHEMBL13634526 0.95 GPR6 (0.37) GPR6GLSPARP1TNK1MCHR1
SCHEMBL13638883 0.94 MCHR1 (0.35) GPR6PARP1TNK1MCHR1SCD
SCHEMBL13634583 0.94 GLS (0.39) GPR6GLSPARP1TNK1MCHR1
SCHEMBL13634885 0.91 GLS (0.41) GPR6GLSMCHR1SCDCYP2C9
SCHEMBL13634858 0.91 GPR6 (0.37) GPR6GLSPARP1TNK1MCHR1
SCHEMBL13634700 0.91 GPR6 (0.37) GPR6GLSPARP1TNK1MCHR1
SCHEMBL13634618 0.91 GPR6 (0.38) GPR6GLSPARP1TNK1MCHR1
SCHEMBL13634876 0.91 GLS (0.41) GPR6GLSPARP1TNK1MCHR1
SCHEMBL13634898 0.91 GPR6 (0.37) GPR6PARP1TNK1MCHR1SCD

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