SCHEMBL8554193

SCHEMBL8554193

CO/C=C(/Cc1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
MAPT P10636 4/20 0.46
EGFR P00533 6/20 0.44
AKT1 P31749 6/20 0.44
AKT2 P31751 6/20 0.44
AKT3 Q9Y243 6/20 0.44
F2RL3 Q96RI0 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSTO1 P78417 1/20 0.36
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL8554499 0.89 TP53 (0.57) TP53MAPTEGFRAKT1AKT2
SCHEMBL8554723 0.88 TP53 (0.50) TP53MAPTEGFRAKT1AKT2
SCHEMBL8556432 0.87 TP53 (0.47) TP53MAPTEGFRAKT1AKT2
SCHEMBL8556548 0.87 THRB (0.53) TP53MAPTEGFRAKT1AKT2
SCHEMBL8554965 0.82 TP53 (0.34) TP53MAPTEGFRAKT1AKT2
SCHEMBL8555033 0.78 MAPT (0.43) TP53MAPTEGFRAKT1AKT2
SCHEMBL8556454 0.77 TP53 (0.36) TP53MAPTEGFRAKT1AKT2
SCHEMBL8554779 0.76 TP53 (0.37) TP53MAPTEGFRAKT1AKT2
SCHEMBL8556427 0.75 SIRT1 (0.47) TP53MAPTEGFRAKT1AKT2
SCHEMBL9412040 0.70 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1GSTO1ALOX5

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