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Sugi Predict / Compounds / SCHEMBL13580344

SCHEMBL13580344

SCHEMBL13580344

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(O)c3C(F)(F)F)c(C(F)(F)F)c2O)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
▸ SMN1; SMN2 Q16637 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
SCHEMBL13580412 0.84 SMN1; SMN2 (0.36) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580423 0.78 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580345 0.77 NPC1 (0.31) NPC1KMT2AATMGPR35
SCHEMBL13580311 0.77 NPC1 (0.34) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580347 0.77 SMN1; SMN2 (0.39) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580330 0.77 NPC1 (0.36) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580326 0.77 NPC1 (0.34) NPC1KMT2AATMGPR35
SCHEMBL13580859 0.76 KMT2A (0.36) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL15893568 0.76 MAPT (0.37) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580327 0.75 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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