SCHEMBL13580316

SCHEMBL13580316

CC(C)(C)C1=CC(=C/N=N/c2cc(F)c(-c3cc(F)c(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3F)cc2F)C=C(C(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ CES2 O00748 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL18877734 0.83 NPC1 (0.36) ATMNPC1KMT2AGPR35MAPT
SCHEMBL13580322 0.80 NPC1 (0.36) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL18877741 0.80 SMN1; SMN2 (0.43) ATMNPC1KMT2AGPR35MAPT
SCHEMBL18877746 0.78 ATM (0.35) ATMNPC1KMT2AGPR35CES2
SCHEMBL13580411 0.77 NPC1 (0.33) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL13580324 0.77 NPC1 (0.35) ATMNPC1KMT2AGPR35SMN1; SMN2
SCHEMBL13580327 0.76 NPC1 (0.33) ATMNPC1KMT2AGPR35
SCHEMBL13580416 0.76 SMN1; SMN2 (0.44) ATMNPC1KMT2AGPR35CES2
SCHEMBL18877732 0.76 ATM (0.36) ATMNPC1KMT2AGPR35CES2
SCHEMBL18877783 0.76 MAPT (0.32) ATMNPC1KMT2AGPR35MAPT

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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