SCHEMBL13580362

SCHEMBL13580362

COc1ccc(-c2cc(/N=N/C=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)ccc2-c2ccc(/N=N/C=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)cc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ PTGS2 P35354 3/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL13580828 0.87 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580353 0.87 NPC1 (0.33) NPC1KMT2AATMGPR35PTGS2
SCHEMBL18877728 0.87 PTGS2 (0.43) NPC1KMT2AATMGPR35PTGS2
SCHEMBL13580358 0.86 NPC1 (0.33) NPC1KMT2AATMGPR35PTGS2
SCHEMBL13580827 0.86 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580348 0.86 NPC1 (0.34) NPC1KMT2AATMGPR35PTGS2
SCHEMBL13580361 0.84 APP (0.34) NPC1KMT2AATMGPR35MAPT
SCHEMBL13580394 0.84 PTGS2 (0.35) NPC1KMT2AATMGPR35PTGS2
SCHEMBL13580359 0.83 PTGS2 (0.38) KMT2APTGS2SMN1; SMN2ACHEMAPT
SCHEMBL13580858 0.83 NPC1 (0.31) NPC1KMT2AATMGPR35MAPT

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
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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