SCHEMBL18504598

SCHEMBL18504598

COC(=O)c1cccc(I)c1COc1ccn(O)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 6/20 0.36
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
AHR P35869 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL18504960 0.88 TSHR (0.41) POLBTP53TDP1KDM4EKMT2A
SCHEMBL18504390 0.87 NPC1 (0.36) POLBKDM4ELMNAKMT2AALDH1A1
SCHEMBL18500066 0.87 ALDH1A1 (0.40) POLBTP53TDP1KDM4ELMNA
SCHEMBL18504945 0.86 NR1H4 (0.35) TDP1KDM4EKMT2AALDH1A1
SCHEMBL18504290 0.86 ALDH1A1 (0.44) TP53TDP1KDM4ELMNAALDH1A1
SCHEMBL18504220 0.86 KMT2A (0.40) POLBTP53TDP1KDM4ELMNA
SCHEMBL18504649 0.86 TDP1 (0.41) POLBTP53TDP1KDM4EKMT2A
SCHEMBL18504188 0.86 MAPT (0.40) POLBTP53TDP1KDM4ELMNA
SCHEMBL18504646 0.86 PDE5A (0.35) KDM4ESMN1; SMN2
SCHEMBL18504768 0.86 NR1H4 (0.31)

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