SCHEMBL8556427

SCHEMBL8556427

CO/C=C(/Cc1csc2nc(-c3ccc(OC)cc3OC)cn12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.47
TP53 P04637 2/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CSNK2A1 P68400 1/20 0.41
EGFR P00533 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL8555033 0.82 MAPT (0.43) SIRT1TP53EGFRAKT1AKT2
SCHEMBL8554779 0.82 TP53 (0.37) SIRT1TP53EGFRAKT1AKT2
SCHEMBL8554723 0.80 TP53 (0.50) SIRT1TP53EGFRAKT1AKT2
SCHEMBL8556432 0.77 TP53 (0.47) TP53EGFRAKT1AKT2AKT3
SCHEMBL8556548 0.77 THRB (0.53) TP53EGFRAKT1AKT2AKT3
SCHEMBL8556454 0.75 TP53 (0.36) TP53EGFRAKT1AKT2AKT3
SCHEMBL8554193 0.75 TP53 (0.46) TP53EGFRAKT1AKT2AKT3
SCHEMBL8557773 0.70 POLB (0.48) TP53MAPTNPC1RAB9AHPGD
SCHEMBL11139020 0.66 CSNK2A1 (0.66) CYP1A1CYP1B1CSNK2A1MAPTKMT2A
SCHEMBL5323814 0.64 MAPT (0.54) SIRT1TP53CYP1A1CYP1B1MAPT

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-0554957-B1 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1998-04-15 EP disclosed