Methylene Chloride

Methylene Chloride

SCHEMBL27709754

ClCCl.NC(=O)c1csc(C2CCNCC2)n1

nearest known ligand 0.46

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
BAZ2A Q9UIF9 2/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
HPGDS O60760 1/20 0.39
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
PARP1 P09874 3/20 0.37
SPR P35270 2/20 0.37
CDC7 O00311 1/20 0.36
PIM1 P11309 4/20 0.36
PIM3 Q86V86 4/20 0.36
PIM2 Q9P1W9 4/20 0.36

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
SCHEMBL417132 0.94 AOC3 (0.47) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL12467241 0.83 HTR2B (0.42) AOC3SPRPIM1PIM3PIM2
SCHEMBL491211 0.81 HPGDS (0.46) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL13997973 0.80 BAZ2A (0.52) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL2554941 0.79 PIM1 (0.46) SPRCDC7PIM1PIM3PIM2
SCHEMBL28264041 0.79 PIM1 (0.46) SPRCDC7PIM1PIM3PIM2
Hydrochloric Acid SCHEMBL2516985 0.78 BAZ2A (0.51) AOC3BAZ2AGSK3BDYRK1AHPGDS
Hydrochloric Acid SCHEMBL27895594 0.78 BAZ2A (0.48) AOC3BAZ2AGSK3BDYRK1AHPGDS
SCHEMBL26979851 0.77 HTR2B (0.38) SPRPIM1PIM3PIM2
SCHEMBL14379269 0.76 PLAT (0.45) AOC3BAZ2AGSK3BDYRK1AHPGDS

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
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed
CN-101228156-A Fungicidal carboxamides DU PONT (US) 2008-07-23 CN disclosed