SCHEMBL18504496

SCHEMBL18504496

CC(C)Oc1cccc(C(=O)Cl)c1COc1ccn(O)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SCN9A Q15858 1/20 0.34
BRPF1 P55201 6/20 0.32
EZH2 Q15910 2/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FGFR4 P22455 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL18504395 0.90 NR1H4 (0.39) IRAK4NR1H4IDO1TDO2SCN9A
SCHEMBL18504775 0.89 IRAK4 (0.48) IRAK4IDO1TDO2BRPF1
SCHEMBL18504995 0.89 KLKB1 (0.34) NR1H4KDM4EALDH1A1LMNATDP1
SCHEMBL18504996 0.89 IRAK4 (0.36) IRAK4NR1H4IDO1TDO2SCN9A
SCHEMBL18505014 0.88 IRAK4 (0.37) IRAK4NR1H4IDO1TDO2BRPF1
SCHEMBL18504693 0.88 IRAK4 (0.36) IRAK4NR1H4IDO1TDO2BRPF1
SCHEMBL22563872 0.88 IRAK4 (0.36) IRAK4NR1H4IDO1TDO2SCN9A
SCHEMBL18500407 0.88 IRAK4 (0.36) IRAK4IDO1TDO2BRPF1KCNK3
SCHEMBL18504485 0.87 CTSD (0.36) NR1H4LMNA
SCHEMBL18505061 0.87 KCNK3 (0.35) IRAK4IDO1TDO2BRPF1EZH2

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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed