SCHEMBL22563909

SCHEMBL22563909

COC(=O)c1cccc(CF)c1COc1ccn(S)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MEN1 O00255 2/20 0.33
AHR P35869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL22564171 0.91 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EKMT2AMAPK8
SCHEMBL22563864 0.89 TSHR (0.39) ALDH1A1LMNAKMT2AMRGPRX4NPSR1
SCHEMBL22564036 0.88 NPC1 (0.34) ALDH1A1LMNAKDM4EKMT2ANPSR1
SCHEMBL22564198 0.88 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EKMT2AMAPK8
SCHEMBL18500404 0.88 ALDH1A1 (0.35) ALDH1A1LMNAKDM4EKMT2AMAPK8
SCHEMBL22563845 0.87 FOLH1 (0.34) ALDH1A1MRGPRX4HTTTP53
SCHEMBL22564032 0.87 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EKMT2ATP53
SCHEMBL22564378 0.87 PDE5A (0.31)
SCHEMBL22564506 0.86 MEN1 (0.35) KMT2AMEN1
SCHEMBL22563884 0.86 FOLH1 (0.32)

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