SCHEMBL13580359

SCHEMBL13580359

CC(C)(C)C1=CC(=C/N=N/c2ccc(-c3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)c2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.38
▸ PTPRC P08575 3/20 0.36
▸ S100A4 P26447 2/20 0.36
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ PTPN1 P18031 4/20 0.33
▸ PTPN6 P29350 4/20 0.33
▸ PTPN11 Q06124 4/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 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
SCHEMBL13760889 0.87 MEN1 (0.38) PTGS2MAPTMEN1KMT2APTPN1
SCHEMBL22238634 0.87 MEN1 (0.38) PTGS2MAPTMEN1KMT2APTPN1
SCHEMBL13580828 0.86 NPC1 (0.33) KMT2A
SCHEMBL13580353 0.86 NPC1 (0.33) PTGS2KMT2A
SCHEMBL13580358 0.85 NPC1 (0.33) PTGS2KMT2A
SCHEMBL13580827 0.85 NPC1 (0.33) KMT2ACA12CA2CA9
SCHEMBL13580348 0.85 NPC1 (0.34) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL13580331 0.84 KMT2A (0.34) MAPTMEN1KMT2ABCHEACHE
SCHEMBL13580362 0.83 NPC1 (0.39) PTGS2MAPTMEN1KMT2AKDM4E
SCHEMBL13580361 0.83 APP (0.34) MAPTKMT2APTPN1PTPN6PTPN11

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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