SCHEMBL28058563

SCHEMBL28058563

CN1C(c2ccccc2)=NNC1C=O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AXL P30530 1/20 0.32
PARP1 P09874 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
KMT2A Q03164 3/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BRD4 O60885 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 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
SCHEMBL27770365 0.84 ALDH1A1 (0.35) MAOAMAOBALDH1A1LMNASMN1; SMN2
SCHEMBL19622906 0.70 BRD4 (0.36) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL27268974 0.69 GAA (0.37) LMNA
SCHEMBL27459564 0.69
SCHEMBL27473060 0.67
SCHEMBL27938865 0.66
SCHEMBL27390773 0.66
SCHEMBL28305142 0.65
SCHEMBL28305188 0.65
SCHEMBL27469074 0.65

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
CN-105473558-A Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG 2016-04-06 CN disclosed