SCHEMBL13634709

SCHEMBL13634709

N#Cc1cc(C(=O)O)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 15/20 0.46
SCD O00767 1/20 0.39
MAOB P27338 1/20 0.39
PTGFR P43088 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL13270704 0.93 GPR6 (0.44) GPR6SCDMAOB
SCHEMBL13634695 0.92 GPR6 (0.43) GPR6SCDMAOB
SCHEMBL2770451 0.88 GPR6 (0.43) GPR6SCDHDAC3HDAC2
SCHEMBL13634609 0.88 GPR6 (0.41) GPR6SCDHDAC3HDAC2
SCHEMBL13634849 0.88 GPR6 (0.41) GPR6SCDHDAC3HDAC2
SCHEMBL13634679 0.87 IRAK4 (0.43) GPR6SCD
SCHEMBL13162054 0.85 SCD (0.50) GPR6SCDHDAC3HDAC2
SCHEMBL13634621 0.85 GPR6 (0.39) GPR6SCDPTGFRHDAC3HDAC2
SCHEMBL2772305 0.84 SCD (0.45) GPR6SCDPTGFRHDAC3HDAC2
SCHEMBL13634881 0.80 NPC1 (0.40) GPR6SCDHDAC3HDAC2

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 2 patents. 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed