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Sugi Predict / Compounds / SCHEMBL13580433

SCHEMBL13580433

SCHEMBL13580433

CC(C)(C)C1=CC(=C/N=N\c2cc(Cl)c(Cl)cc2-c2ccc(/N=N/C=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=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
▸ PTGS2 P35354 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
SCHEMBL13580379 0.92 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580432 0.88 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580449 0.87 — —
SCHEMBL13580446 0.87 — —
SCHEMBL13580378 0.86 NPC1 (0.33) NPC1KMT2AATMGPR35PTGS2
SCHEMBL13580401 0.85 SMN1; SMN2 (0.33) NPC1KMT2AATMGPR35PTGS2
SCHEMBL13580377 0.85 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580381 0.84 NPC1 (0.31) NPC1KMT2AATMGPR35
SCHEMBL13580860 0.84 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580310 0.83 ATM (0.38) 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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