SCHEMBL18504522

SCHEMBL18504522

COC(=O)c1cccc(C(F)F)c1COc1ccn(O)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
KLKB1 P03952 1/20 0.35
ALDH1A1 P00352 6/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.34
AHR P35869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CB P42338 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18504645 0.90 KDM4E (0.39) KDM4EKMT2AGAAATMALDH1A1
SCHEMBL18504976 0.89 MAPT (0.36) KDM4EKMT2AKLKB1ALDH1A1POLB
SCHEMBL18504624 0.89 TSHR (0.39) KMT2AATMALDH1A1HSD17B10POLB
SCHEMBL22563987 0.88 KDM4E (0.35) KDM4EKMT2AGAAATMKLKB1
SCHEMBL18503083 0.87 NR1H4 (0.36) KMT2AGAAKLKB1ALDH1A1TDP1
SCHEMBL18504432 0.87 ALDH1A1 (0.41) KMT2AATMALDH1A1HSD17B10TDP1
SCHEMBL18504844 0.87 KLKB1 (0.33) KLKB1
SCHEMBL18504783 0.86 PARP1 (0.32) KMT2AKLKB1
SCHEMBL18504475 0.86 KLKB1 (0.33) KLKB1
SCHEMBL18504674 0.86 KLKB1 (0.33) KLKB1

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