SCHEMBL13580405

SCHEMBL13580405

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(-c4ccccc4)c3)cc2Cl)C=C(C(C)(C)C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ ACLY P53396 1/20 0.30

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
SCHEMBL13580357 0.93 SMN1; SMN2 (0.36) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580321 0.90 NPC1 (0.36) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580421 0.89 SMN1; SMN2 (0.36) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580397 0.88 CASP3 (0.35) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580399 0.87 SMN1; SMN2 (0.32) SMN1; SMN2NPC1KMT2AATMGPR35
SCHEMBL13580406 0.87 PTGS2 (0.31) —
SCHEMBL13580390 0.84 KMT2A (0.35) NPC1KMT2AATMGPR35
SCHEMBL13580377 0.84 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580387 0.84 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580380 0.84 NPC1 (0.32) 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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