SCHEMBL13638856

SCHEMBL13638856

COc1ccc(N=O)c(C(=O)NC2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.54
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM1A O60341 2/20 0.45
HTR4 Q13639 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
PDE4B Q07343 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL13638838 0.90 HPGDS (0.54) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL13163162 0.84 HPGDS (0.57) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL13161909 0.82 HPGDS (0.56) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL29798407 0.81 HPGDS (0.57) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL13162029 0.81 HPGDS (0.57) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL13161912 0.80 HPGDS (0.56) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL13162266 0.80 ALDH1A1 (0.57) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL13638862 0.77 NTRK1 (0.39) HPGDSRAB9ANPC1KDM1APDE4B
SCHEMBL13162264 0.77 HPGDS (0.53) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL22725997 0.76 HPGDS (0.52) HPGDSRAB9ANPC1KDM4EALDH1A1

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