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Sugi Predict / Compounds / SCHEMBL13580412

SCHEMBL13580412

SCHEMBL13580412

CC(C)(C)C1=CC(=C/N=N/c2cccc(-c3cccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c3C(F)(F)F)c2C(F)(F)F)C=C(C(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GPR35 Q9HC97 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
SCHEMBL13580416 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580344 0.84 NPC1 (0.32) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580423 0.81 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL18877741 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580429 0.77 SMN1; SMN2 (0.39) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL18877733 0.76 SMN1; SMN2 (0.43) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL18877740 0.76 SMN1; SMN2 (0.43) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580435 0.76 SMN1; SMN2 (0.36) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580327 0.76 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580347 0.75 SMN1; SMN2 (0.39) SMN1; SMN2NPC1KMT2AATMGPR35

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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