SCHEMBL22564533

SCHEMBL22564533

Cc1cccc(C(N)=O)c1COc1ccn(S)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.37
CYP3A4 P08684 3/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
TYK2 P29597 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
FFAR1 O14842 1/20 0.35
PARP1 P09874 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL22563910 0.89 KDM4E (0.38) CYP3A4SGMS2FFAR1SLC22A12LMNA
SCHEMBL22564022 0.88 SLC22A12 (0.36) CYP3A4SGMS2FFAR1SLC22A12LMNA
SCHEMBL22564062 0.88 SGMS2 (0.35) CYP3A4SGMS2FFAR1SLC22A12CYP1A2
SCHEMBL22563856 0.87 ALDH1A1 (0.39) SGMS2LMNAMAPTKMT2ARAB9A
SCHEMBL22564395 0.87 PARP1 (0.36) CYP3A4PARP1LMNAMAPTKMT2A
SCHEMBL18504397 0.86 CD38 (0.37) CD38CYP3A4KCNH2JAK2JAK1
SCHEMBL22564179 0.86 HDAC3 (0.40) CYP3A4SGMS2FFAR1SLC22A12LMNA
SCHEMBL22564534 0.86 LMNA (0.39) JAK2JAK1JAK3TYK2PARP1
SCHEMBL22564134 0.85 PARP1 (0.37) CD38CYP3A4JAK2JAK1JAK3
SCHEMBL22564128 0.85 KLKB1 (0.37) CD38JAK2JAK1JAK3TYK2

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