SCHEMBL9586409

SCHEMBL9586409

CO/C=C(/C(=O)O)c1cccc2ccc(-c3csc(-c4ccc(Cl)c(Cl)c4)n3)cc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 19/20 0.54
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9572141 1.00 EIF4E (0.54) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL9572184 0.87 PTPRF (0.44) EIF4EKDM4EMEN1KMT2A
SCHEMBL9572145 0.84 KDM4E (0.50) EIF4EKDM4EMEN1KMT2A
SCHEMBL9572168 0.84 MAPT (0.46) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL9572164 0.83 NOTUM (0.47) EIF4ENPC1RAB9A
SCHEMBL9572155 0.83 EIF4E (0.46) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL9572151 0.81 PTGER4 (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL9572147 0.81 DHODH (0.40) MEN1NPC1RAB9AKMT2A
SCHEMBL9572138 0.81 PTPRF (0.38) EIF4EMEN1NPC1RAB9AKMT2A
SCHEMBL9572159 0.80 MAPK1 (0.36) EIF4EMEN1NPC1RAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194445-A None JP disclosed
JP-H05194445-A NOVEL DERIVATIVES OF 1-NAPHTHALENEACETIC ACID, THEIR PRODUCTION, AND THEIR USE AS PESTICIDE ROUSSEL UCLAF 1993-08-03 JP disclosed