SCHEMBL13580377

SCHEMBL13580377

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(Cl)c3)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 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
SCHEMBL13580321 0.94 NPC1 (0.36) NPC1KMT2AATMGPR35
SCHEMBL13580390 0.88 KMT2A (0.35) NPC1KMT2AATMGPR35
SCHEMBL13580387 0.87 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580393 0.87 KMT2A (0.38) NPC1KMT2AATMGPR35
SCHEMBL13580379 0.86 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580310 0.86 ATM (0.38) NPC1KMT2AATMGPR35
SCHEMBL13580366 0.86 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580433 0.85 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580380 0.85 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580406 0.85 PTGS2 (0.31) —

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 1 patent. 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
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