SCHEMBL22563880

SCHEMBL22563880

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
GABRA5 P31644 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
PDK2 Q15119 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 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
SCHEMBL22564030 0.92 NPC1 (0.35) MAPTLMNANPC1KDM4EPOLB
SCHEMBL22563987 0.89 KDM4E (0.35) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL18504976 0.88 MAPT (0.36) MAPTLMNANPC1KDM4EPOLB
SCHEMBL22563857 0.88 TSHR (0.38) POLBGABRA5NPSR1L3MBTL1JMJD6
SCHEMBL22564293 0.87 MAPT (0.37) MAPTLMNANPC1KDM4EPOLB
SCHEMBL22563861 0.86 GABRA5 (0.36) MAPTLMNANPC1KDM4EPOLB
SCHEMBL22563852 0.86 NR1H4 (0.35) NR1H4KLKB1
SCHEMBL22564036 0.85 NPC1 (0.34) MAPTLMNANPC1KDM4EPOLB
SCHEMBL22564484 0.85 NPC1 (0.35) MAPTLMNANPC1KDM4EPOLB
SCHEMBL22564260 0.85 KLKB1 (0.32) ALDH1A1NR1H4KLKB1

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