SCHEMBL13634701

SCHEMBL13634701

CCCNC(=O)c1cc(CN2C[C@H](C)[C@H]2C)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.37
GLS O94925 2/20 0.37
MCHR1 Q99705 1/20 0.34
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34
SCD O00767 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
FGFR1 P11362 1/20 0.32
ACKR3 P25106 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP2J2 P51589 1/20 0.32
CHEK1 O14757 1/20 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
SCHEMBL13634858 0.91 GPR6 (0.37) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634700 0.91 GPR6 (0.37) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634618 0.91 GPR6 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634832 0.90 GPR6 (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634885 0.90 GLS (0.41) GPR6GLSMCHR1SCDFGFR1
SCHEMBL13634704 0.89 MCHR1 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634861 0.89 MCHR1 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634687 0.89 GPR6 (0.38) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634583 0.89 GLS (0.39) GPR6GLSMCHR1PARP1TNK1
SCHEMBL13634876 0.89 GLS (0.41) GPR6GLSMCHR1PARP1TNK1

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