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Sugi Predict / Compounds / SCHEMBL13580417

SCHEMBL13580417

SCHEMBL13580417

CC(C)(C)C1=CC(=C/N=N/c2cc(Cl)c(Cl)c(Cl)c2-c2c(/N=N/C=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)cc(Cl)c(Cl)c2Cl)C=C(C(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ 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
SCHEMBL13580318 0.89 NPC1 (0.34) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580309 0.84 NPC1 (0.34) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580398 0.83 NPC1 (0.30) NPC1KMT2AATMGPR35
SCHEMBL13580411 0.83 NPC1 (0.33) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL13580350 0.82 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580430 0.81 — —
SCHEMBL18877731 0.81 KMT2A (0.35) NPC1KMT2AATMGPR35
SCHEMBL13580334 0.81 NPC1 (0.32) NPC1KMT2AATMGPR35
SCHEMBL13580320 0.80 ATM (0.34) NPC1KMT2AATMGPR35SMN1; SMN2
SCHEMBL24543460 0.80 CTDSP1 (0.36) NPC1KMT2AATMGPR35SMN1; SMN2

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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