SCHEMBL18504775

SCHEMBL18504775

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.48
HTT P42858 1/20 0.38
BRPF1 P55201 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PARP1 P09874 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TBXAS1 P24557 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL18504395 0.90 NR1H4 (0.39) IRAK4BRPF1IDO1TDO2
SCHEMBL18504496 0.89 IRAK4 (0.36) IRAK4BRPF1IDO1TDO2
SCHEMBL18504446 0.89 ROCK2 (0.35) IRAK4HTTPARP1MEN1KMT2A
SCHEMBL18504996 0.89 IRAK4 (0.36) IRAK4BRPF1MEN1KMT2AIDO1
SCHEMBL18504693 0.88 IRAK4 (0.36) IRAK4HTTBRPF1MEN1KMT2A
SCHEMBL18500407 0.88 IRAK4 (0.36) IRAK4HTTBRPF1MEN1KMT2A
SCHEMBL22564143 0.88 IRAK4 (0.47) IRAK4HTTBRPF1MKNK1MKNK2
SCHEMBL18504554 0.87 LMNA (0.40) HTTPARP1MEN1KMT2ATBXAS1
SCHEMBL18505061 0.87 KCNK3 (0.35) IRAK4BRPF1MEN1KMT2AIDO1
SCHEMBL18504435 0.86 KDM4E (0.38) HTTMKNK1MKNK2PARP1MEN1

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