SCHEMBL8555033

SCHEMBL8555033

CO/C=C(/Cc1csc2nc(-c3ccc(F)cc3F)cn12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 3/20 0.43
F2RL3 Q96RI0 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALPL P05186 1/20 0.35
SIRT1 Q96EB6 5/20 0.35
EGFR P00533 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35
KMO O15229 1/20 0.35
TRPA1 O75762 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
MDM2 Q00987 1/20 0.34

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 0.86 TP53 (0.57) MAPTTP53F2RL3NPC1RAB9A
SCHEMBL8553904 0.83 THRB (0.40) MAPTTP53NPC1RAB9AALPL
SCHEMBL8554779 0.83 TP53 (0.37) MAPTTP53SIRT1EGFRAKT1
SCHEMBL8554723 0.81 TP53 (0.50) MAPTTP53NPC1RAB9ASIRT1
SCHEMBL8557547 0.79 TP53 (0.51) MAPTTP53NPC1RAB9ASIRT1
SCHEMBL8556432 0.78 TP53 (0.47) MAPTTP53LMNAEGFRAKT1
SCHEMBL8554193 0.78 TP53 (0.46) MAPTTP53F2RL3NPC1ALDH1A1
SCHEMBL8556217 0.77 MAPK9 (0.41) MAPTTP53ALDH1A1EGFRAKT1
SCHEMBL8557170 0.77 TP53 (0.46) MAPTTP53RAB9AEGFRAKT1
SCHEMBL8554965 0.75 TP53 (0.34) MAPTTP53EGFRAKT1AKT2

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