SCHEMBL17180707

SCHEMBL17180707

O=C(O)Oc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2ccncc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 18/20 0.79
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL17180749 0.93 EIF4E (0.78) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL17180766 0.91 EIF4E (0.79) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL17180733 0.91 EIF4E (0.80) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL17180799 0.90 EIF4E (0.81) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL14797408 0.88 EIF4E (1.00) EIF4E
SCHEMBL17180731 0.88 EIF4E (0.79) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL17180822 0.87 EIF4E (0.80) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL17180810 0.87 EIF4E (0.80) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL17180830 0.86 EIF4E (0.82) EIF4EMEN1KMT2ALMNAPOLB
SCHEMBL17180829 0.85 EIF4E (0.81) EIF4EMEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 — — EP claimed
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