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Sugi Predict / Compounds / SCHEMBL13580828

SCHEMBL13580828

SCHEMBL13580828

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33

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 0.91 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580358 0.89 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580827 0.89 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580348 0.89 NPC1 (0.34) NPC1KMT2AATMGPR35
SCHEMBL13580361 0.87 APP (0.34) NPC1KMT2AATMGPR35
SCHEMBL13580362 0.87 NPC1 (0.39) NPC1KMT2AATMGPR35
SCHEMBL13580394 0.87 PTGS2 (0.35) NPC1KMT2AATMGPR35
SCHEMBL13580359 0.86 PTGS2 (0.38) KMT2A
SCHEMBL13749169 0.86 ATM (0.37) NPC1KMT2AATMGPR35
SCHEMBL13580858 0.85 NPC1 (0.31) NPC1KMT2AATMGPR35

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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