SCHEMBL13634826

SCHEMBL13634826

O=C(O)Cc1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.39
SCD O00767 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
CHEK1 O14757 4/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP2J2 P51589 1/20 0.36
GLS O94925 1/20 0.36
PIM1 P11309 1/20 0.35
PPARG P37231 2/20 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
SCHEMBL13270414 0.92 UTS2R (0.38) GPR6SCDUTS2RNPC1GAA
SCHEMBL13634849 0.88 GPR6 (0.41) GPR6SCDNPC1GAAMAPT
SCHEMBL13634881 0.85 NPC1 (0.40) GPR6SCDNPC1GAAMAPT
SCHEMBL13634653 0.85 HRH3 (0.41) GPR6SCDNPC1GAAMAPT
SCHEMBL2772170 0.83 CYP2C9 (0.41) GPR6SCDNPC1RAB9AHDAC3
SCHEMBL13634863 0.81 MAP3K7 (0.48) GPR6SCD
SCHEMBL13634883 0.81 NPC1 (0.43) NPC1CHEK1PIM1
SCHEMBL13634882 0.81 MAP3K7 (0.39) GPR6SCDNPC1GAAMAPT
SCHEMBL13634696 0.80 GPR6 (0.38) GPR6SCDHDAC3HDAC2CHEK1
SCHEMBL13634880 0.80 RAB9A (0.40) SCDNPC1RAB9APIM1

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