SCHEMBL14811700

SCHEMBL14811700

COc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(Cl)c2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 19/20 0.67
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL14810696 0.86 EIF4E (0.74) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL14811709 0.83 EIF4E (0.67) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL14810560 0.82 EIF4E (0.61) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL14810817 0.82 EIF4E (0.78) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL14810866 0.81 EIF4E (0.61) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL14797324 0.80 EIF4E (1.00) EIF4E
SCHEMBL14797083 0.80 EIF4E (1.00) EIF4E
SCHEMBL14810940 0.80 EIF4E (0.77) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL14797291 0.79 EIF4E (0.73) EIF4EKDM4EMEN1NPC1RAB9A
SCHEMBL14820479 0.79 EIF4E (0.85) EIF4E

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
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 — — EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 — — WO disclosed
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