SCHEMBL13634797

SCHEMBL13634797

CCc1ccc(NC(=O)c2coc(N3CCOCC3)n2)c(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.50
AKT1 P31749 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL13634784 0.91 IRAK4 (0.51) IRAK4MAPTALDH1A1MEN1KMT2A
SCHEMBL13270468 0.91 IRAK4 (0.46) IRAK4AKT1MAPTALDH1A1MAPK1
SCHEMBL13634739 0.88 IRAK4 (0.48) IRAK4MAPTALDH1A1KDM4EGAA
SCHEMBL13634721 0.88 IRAK4 (0.49) IRAK4AKT1MAPTALDH1A1MAPK1
SCHEMBL13634551 0.86 IRAK4 (0.47) IRAK4KDM4E
SCHEMBL13634943 0.83 GRM2 (0.42) IRAK4MAPTMAPK1LMNA
SCHEMBL13270469 0.81 IRAK4 (0.47) IRAK4
SCHEMBL13162062 0.80 IRAK4 (0.43) IRAK4MAPTALDH1A1KDM4EMEN1
SCHEMBL13634699 0.78 IRAK4 (0.50) IRAK4MAPTABCB1ABCG2
SCHEMBL13270595 0.78 IRAK4 (0.44) IRAK4

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