SCHEMBL8554723

SCHEMBL8554723

CO/C=C(/Cc1csc2nc(-c3ccccc3)cn12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.50
MAPT P10636 4/20 0.50
EGFR P00533 6/20 0.47
AKT1 P31749 6/20 0.47
AKT2 P31751 6/20 0.47
AKT3 Q9Y243 6/20 0.47
THRB P10828 1/20 0.42
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
PTGS2 P35354 1/20 0.39
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL8557547 0.98 TP53 (0.51) TP53MAPTEGFRAKT1AKT2
SCHEMBL8556432 0.90 TP53 (0.47) TP53MAPTEGFRAKT1AKT2
SCHEMBL8554499 0.90 TP53 (0.57) TP53MAPTEGFRAKT1AKT2
SCHEMBL8556548 0.90 THRB (0.53) TP53MAPTEGFRAKT1AKT2
SCHEMBL8557170 0.89 TP53 (0.46) TP53MAPTEGFRAKT1AKT2
SCHEMBL8554193 0.88 TP53 (0.46) TP53MAPTEGFRAKT1AKT2
SCHEMBL8554698 0.84 TP53 (0.46) TP53MAPTEGFRAKT1AKT2
SCHEMBL8556217 0.82 MAPK9 (0.41) TP53MAPTEGFRAKT1AKT2
SCHEMBL8625711 0.81 TP53 (0.43) TP53MAPTEGFRAKT1AKT2
SCHEMBL8553136 0.81 SMN1; SMN2 (0.41) TP53MAPTRAB9AHPGDNPC1

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 3 patents. 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
US-5334609-A Used in agriculture MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-08-02 US disclosed
EP-0554957-A2 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP disclosed