SCHEMBL13634838

SCHEMBL13634838

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.41
GLS O94925 1/20 0.40
GPR6 P46095 5/20 0.40
HRH3 Q9Y5N1 1/20 0.36
PIM1 P11309 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL13638914 0.93 SCD (0.41) SCDGPR6HRH3PIM1HDAC3
SCHEMBL13634885 0.90 GLS (0.41) SCDGLSGPR6HRH3HDAC3
SCHEMBL13634876 0.89 GLS (0.41) SCDGLSGPR6HDAC3HDAC2
SCHEMBL13634583 0.86 GLS (0.39) SCDGLSGPR6HRH3HDAC3
SCHEMBL13634800 0.86 IRAK4 (0.46) GPR6OPRK1KMT2AIRAK4
SCHEMBL13634832 0.86 GPR6 (0.39) SCDGLSGPR6HDAC3HDAC2
SCHEMBL13634642 0.86 PARP1 (0.40) GLSGPR6CYP2C9
SCHEMBL13634818 0.85 MCHR1 (0.41) SCDGLSGPR6
SCHEMBL13634618 0.85 GPR6 (0.38) SCDGLSGPR6FGFR1
SCHEMBL13634687 0.85 GPR6 (0.38) SCDGLSGPR6

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