SCHEMBL13580361

SCHEMBL13580361

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(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)c2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.34
▸ KIF11 P52732 4/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ TDP2 O95551 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31

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
SCHEMBL13580353 0.87 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580828 0.87 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL15893568 0.87 MAPT (0.37) KIF11MAPTNPC1KMT2AATM
SCHEMBL13580827 0.86 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580358 0.86 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580348 0.86 NPC1 (0.34) MAPTNPC1KMT2AATMGPR35
SCHEMBL13580362 0.84 NPC1 (0.39) MAPTNPC1KMT2AATMGPR35
SCHEMBL13580394 0.84 PTGS2 (0.35) NPC1KMT2AATMGPR35POLB
SCHEMBL13580359 0.83 PTGS2 (0.38) MAPTKMT2AAKR1C3AKR1C2PTPN1
SCHEMBL13580858 0.83 NPC1 (0.31) MAPTNPC1KMT2AATMGPR35

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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