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Sugi Predict / Compounds / SCHEMBL13580396

SCHEMBL13580396

SCHEMBL13580396

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)c(C(F)(F)F)c3)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ KIF11 P52732 3/20 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
SCHEMBL13580393 0.85 KMT2A (0.38) NPC1KMT2AATMGPR35
SCHEMBL13580310 0.84 ATM (0.38) NPC1KMT2AATMGPR35
SCHEMBL13580366 0.84 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580377 0.84 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580448 0.83 — —
SCHEMBL13580397 0.81 CASP3 (0.35) NPC1KMT2AATMGPR35
SCHEMBL13580326 0.80 NPC1 (0.34) NPC1KMT2AATMGPR35
SCHEMBL13580427 0.80 NPC1 (0.34) NPC1KMT2AATMGPR35
SCHEMBL15893568 0.80 MAPT (0.37) NPC1KMT2AATMGPR35KIF11
SCHEMBL13580327 0.79 NPC1 (0.33) 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 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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