SCHEMBL28075899

SCHEMBL28075899

O=C(O)c1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.79
MEN1 O00255 1/20 0.79
NPC1 O15118 1/20 0.79
RAB9A P51151 1/20 0.79
KMT2A Q03164 1/20 0.79
EIF4E P06730 19/20 0.72

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
SCHEMBL12871690 0.89 EIF4E (0.64) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL7215552 0.88 KDM4E (0.73) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL6197531 0.87 KDM4E (0.75) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL12171802 0.87 CYP19A1 (0.67) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL17336823 0.86 KDM4E (0.64) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL1505212 0.85 NPC1 (0.60) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL14797220 0.85 EIF4E (1.00) EIF4E
SCHEMBL14797243 0.84 EIF4E (1.00) EIF4E
SCHEMBL19196251 0.84 SMN1; SMN2 (0.65) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL1505261 0.84 KDM4E (0.62) KDM4EMEN1NPC1RAB9AKMT2A

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
CN-103958487-B Benzoic acid derivative as EIF4E inhibitor 霍夫曼-拉罗奇有限公司 2016-07-13 CN claimed
CN-103958487-B Benzoic acid derivative as EIF4E inhibitor 霍夫曼-拉罗奇有限公司 2016-07-13 CN disclosed