SCHEMBL22563987

SCHEMBL22563987

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
KLKB1 P03952 1/20 0.35
ALDH1A1 P00352 7/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 2/20 0.32
AHR P35869 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
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
TP53 P04637 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
SCHEMBL22564477 0.90 KDM4E (0.38) KDM4EKMT2AGAAATMALDH1A1
SCHEMBL22563880 0.89 MAPT (0.36) KDM4EKMT2AKLKB1ALDH1A1LMNA
SCHEMBL22563857 0.89 TSHR (0.38) KMT2AATMALDH1A1HSD17B10POLB
SCHEMBL18504522 0.88 KDM4E (0.36) KDM4EKMT2AGAAATMKLKB1
SCHEMBL22563852 0.88 NR1H4 (0.35) KLKB1
SCHEMBL22564499 0.88 ALDH1A1 (0.40) KDM4EKMT2AATMALDH1A1HSD17B10
SCHEMBL22564363 0.87 KLKB1 (0.35) KLKB1
SCHEMBL22564210 0.87 KLKB1 (0.33) KLKB1
SCHEMBL22563854 0.87 KLKB1 (0.32) KLKB1
SCHEMBL22564140 0.87 PARP1 (0.32) KMT2AKLKB1

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