SCHEMBL13580308

SCHEMBL13580308

CC(C)(C)C1=CC(=C/N=N/c2c(Cl)cc(-c3cc(Cl)c(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(Cl)c3)cc2Cl)C=C(C(C)(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ CES2 O00748 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL18877731 0.91 KMT2A (0.35) ATMNPC1KMT2AGPR35CES2
SCHEMBL13580332 0.91 NPC1 (0.32) ATMNPC1KMT2AGPR35
SCHEMBL13580400 0.91 NPC1 (0.32) ATMNPC1KMT2AGPR35
SCHEMBL13580383 0.89 NPC1 (0.31) ATMNPC1KMT2AGPR35
SCHEMBL13580338 0.89 NPC1 (0.31) ATMNPC1KMT2AGPR35
SCHEMBL24543468 0.86 MAPT (0.35) ATMNPC1KMT2AGPR35CES2
SCHEMBL13580315 0.85 NPC1 (0.33) ATMNPC1KMT2AGPR35
SCHEMBL13580325 0.84 ATM (0.36) ATMNPC1KMT2AGPR35CES2
SCHEMBL18877776 0.84 NPC1 (0.30) ATMNPC1KMT2AGPR35
SCHEMBL13580319 0.83 ATM (0.35) ATMNPC1KMT2AGPR35CES2

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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