SCHEMBL18504844

SCHEMBL18504844

O=C(NO)c1cccc(C(F)F)c1COc1ccn(O)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.33
PDE5A O76074 1/20 0.31
LIG1 P18858 1/20 0.31
MMP3 P08254 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL18504612 0.90 KLKB1 (0.35) KLKB1
SCHEMBL18504464 0.89 NR1H4 (0.35) PDE5ALIG1
SCHEMBL22564210 0.88 KLKB1 (0.33) KLKB1PDE5ALIG1
SCHEMBL18503083 0.87 NR1H4 (0.36) KLKB1
SCHEMBL18504522 0.87 KDM4E (0.36) KLKB1
SCHEMBL18504475 0.86 KLKB1 (0.33) KLKB1
SCHEMBL18504783 0.86 PARP1 (0.32) KLKB1HDAC8
SCHEMBL18504674 0.86 KLKB1 (0.33) KLKB1
SCHEMBL18504865 0.85 HDAC1 (0.36) PDE5ALIG1
SCHEMBL18504470 0.85 SMN1; SMN2 (0.35) KLKB1LIG1

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