SCHEMBL13634849

SCHEMBL13634849

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.41
SCD O00767 1/20 0.40
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
CHEK1 O14757 4/20 0.37
PIM1 P11309 1/20 0.36
DNM1L O00429 1/20 0.36
EPHX2 P34913 1/20 0.35

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 0.92 NPC1 (0.40) GPR6SCDNPC1GAAMAPT
SCHEMBL13634653 0.92 HRH3 (0.41) GPR6SCDNPC1GAAMAPT
SCHEMBL2770451 0.91 GPR6 (0.43) GPR6SCDNPC1RAB9AHDAC3
SCHEMBL13634609 0.90 GPR6 (0.41) GPR6SCDNPC1RAB9AHDAC3
SCHEMBL13634679 0.89 IRAK4 (0.43) GPR6SCDCHEK1DNM1L
SCHEMBL13634863 0.88 MAP3K7 (0.48) GPR6SCD
SCHEMBL13634826 0.88 GPR6 (0.39) GPR6SCDNPC1GAAMAPT
SCHEMBL13162054 0.88 SCD (0.50) GPR6SCDHDAC3HDAC2PIM1
SCHEMBL13634709 0.88 GPR6 (0.46) GPR6SCDHDAC3HDAC2
SCHEMBL13634882 0.88 MAP3K7 (0.39) GPR6SCDNPC1GAAMAPT

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