SCHEMBL13580459

SCHEMBL13580459

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)c2cccs2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL13580477 0.94 CNR2 (0.31) CNR2ALOX5PTGS1PTGS2MEN1
SCHEMBL13580475 0.90 HDAC3 (0.33) —
SCHEMBL13580462 0.90 CNR2 (0.30) CNR2ALOX5PTGS1PTGS2MAPT
SCHEMBL13580458 0.84 AR (0.30) —
SCHEMBL13580453 0.83 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2MAPT
SCHEMBL13580460 0.82 HDAC3 (0.37) RAB9A
SCHEMBL13580457 0.81 POLB (0.30) —
SCHEMBL13580461 0.78 MAPT (0.30) ALOX5PTGS1PTGS2MAPT
SCHEMBL13580454 0.77 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL13580472 0.77 — —

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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