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Sugi Predict / Compounds / SCHEMBL13580477

SCHEMBL13580477

SCHEMBL13580477

CC(C)(C)C1=CC(=C(/N=N/c2cc(Cl)c(-c3cc(Cl)c(/N=N/C(=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c4cccs4)cc3Cl)cc2Cl)c2ccccc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ HPGDS O60760 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13580459 0.94 CNR2 (0.32) CNR2ALOX5PTGS1PTGS2MEN1
SCHEMBL13580453 0.90 SMN1; SMN2 (0.34) —
SCHEMBL13580475 0.87 HDAC3 (0.33) —
SCHEMBL13580462 0.85 CNR2 (0.30) CNR2ALOX5PTGS1PTGS2
SCHEMBL13580457 0.83 POLB (0.30) —
SCHEMBL13580479 0.82 ALDH1A1 (0.30) —
SCHEMBL13580458 0.79 AR (0.30) —
SCHEMBL13580460 0.79 HDAC3 (0.37) —
SCHEMBL18877751 0.79 FABP4 (0.35) CNR2MEN1KMT2A
SCHEMBL13580472 0.79 — —

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
US-20090317733-A1 Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2009-12-24 — — US disclosed
US-20090317733-A1 Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2009-12-24 — — US disclosed
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