SCHEMBL22564534

SCHEMBL22564534

COc1cccc(C(N)=O)c1COc1ccn(S)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
JAK3 P52333 3/20 0.38
AURKA O14965 2/20 0.37
RPS6KB1 P23443 2/20 0.37
PARP1 P09874 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
PARP15 Q460N3 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
AURKB Q96GD4 1/20 0.35
CTSD P07339 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL22564396 0.90 KDM4E (0.37) LMNAHTTSMN1; SMN2PARP1MAPT
SCHEMBL22563853 0.89 HTT (0.39) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL22563971 0.88 MAPT (0.40) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL22564338 0.88 CTSD (0.35) LMNAHTTSMN1; SMN2JAK2NPC1
SCHEMBL22564307 0.88 NPC1 (0.36) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL22564143 0.88 IRAK4 (0.47) HTTSMN1; SMN2JAK3PARP1JAK1
SCHEMBL22564299 0.87 KMT2A (0.34) LMNAHTTSMN1; SMN2AURKARPS6KB1
SCHEMBL18504554 0.87 LMNA (0.40) LMNAHTTSMN1; SMN2JAK3AURKA
SCHEMBL22564309 0.86 NPC1 (0.37) LMNASMN1; SMN2NPC1RAB9ACTSD
SCHEMBL22564542 0.86 NPC1 (0.37) LMNAHTTSMN1; SMN2NPC1RAB9A

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