SCHEMBL13634653

SCHEMBL13634653

COC(=O)c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
SCD O00767 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR6 P46095 5/20 0.39
CHEK1 O14757 3/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PABPC1 P11940 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IRAK4 Q9NWZ3 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
SCHEMBL13634881 0.93 NPC1 (0.40) HRH3SCDMAPTNPC1GAA
SCHEMBL13634849 0.92 GPR6 (0.41) SCDMAPTNPC1GAANFKB1
SCHEMBL13634606 0.91 IRAK4 (0.43) HRH3SCDMAPTGPR6CHEK1
SCHEMBL13634598 0.91 HRH3 (0.42) HRH3SCDSMN1; SMN2GPR6CHEK1
SCHEMBL13634527 0.89 HRH3 (0.41) HRH3SCDGPR6CHEK1HDAC3
SCHEMBL13634863 0.88 MAP3K7 (0.48) HRH3SCDGPR6IRAK4
SCHEMBL13634695 0.88 GPR6 (0.43) HRH3SCDGPR6
SCHEMBL13634702 0.88 HRH3 (0.41) HRH3SCDGPR6CHEK1HDAC3
SCHEMBL13638934 0.88 SCD (0.49) HRH3SCDSMN1; SMN2GPR6HDAC3
SCHEMBL13634882 0.88 MAP3K7 (0.39) SCDMAPTNPC1GAANFKB1

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