SCHEMBL22563852

SCHEMBL22563852

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.35
KLKB1 P03952 1/20 0.31
CMA1 P23946 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
SCHEMBL22564260 0.90 KLKB1 (0.32) NR1H4KLKB1
SCHEMBL22564140 0.90 PARP1 (0.32) NR1H4KLKB1
SCHEMBL22563854 0.90 KLKB1 (0.32) NR1H4KLKB1
SCHEMBL22564181 0.88 NR1H4 (0.41) NR1H4
SCHEMBL22564363 0.88 KLKB1 (0.35) NR1H4KLKB1
SCHEMBL22563987 0.88 KDM4E (0.35) KLKB1
SCHEMBL22564210 0.88 KLKB1 (0.33) KLKB1
SCHEMBL18503083 0.87 NR1H4 (0.36) NR1H4KLKB1CMA1
SCHEMBL22564297 0.87 KLKB1 (0.34) NR1H4KLKB1
SCHEMBL22563880 0.86 MAPT (0.36) NR1H4KLKB1

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
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed