SCHEMBL22564026

SCHEMBL22564026

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 9/20 0.33
AHR P35869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
MAPK10 P53779 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL22564294 0.89 TSHR (0.40) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL22564475 0.88 NR1H4 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL22563844 0.88 NPC1 (0.34) KDM4EKMT2AALDH1A1NPSR1HSD17B10
SCHEMBL22564147 0.88 NR1H4 (0.31)
SCHEMBL22564206 0.88 LIG1 (0.33)
SCHEMBL22564083 0.87 SMN1; SMN2 (0.31) KDM4EKMT2ATP53LMNASMN1; SMN2
SCHEMBL22564348 0.87 NR1H4 (0.32)
SCHEMBL18504956 0.87 KDM4E (0.36) KDM4EKMT2AALDH1A1AHRNPSR1
SCHEMBL22564325 0.87 NR1H4 (0.32)
SCHEMBL22564305 0.87 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10TP53POLB

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