SCHEMBL15536620

SCHEMBL15536620

CCC(I)c1coc2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
MAOA P21397 2/20 0.45
PTPN1 P18031 1/20 0.45
ACHE P22303 1/20 0.42
CYP19A1 P11511 3/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14270018 0.83 MAOB (0.50) MAOBMAOAPTPN1ACHECYP19A1
SCHEMBL11974293 0.78 MAOB (0.51) MAOBMAOAPTPN1CYP19A1PTGS2
SCHEMBL23627355 0.76 MAOB (0.43) MAOBMAOAPTPN1CYP19A1CYP17A1
SCHEMBL12655257 0.73 MAOB (0.73) MAOBMAOAPTPN1CYP19A1CYP17A1
SCHEMBL14270019 0.73 TSHR (0.47) MAOBMAOAPTPN1
SCHEMBL904863 0.72 MAOB (0.41) MAOBMAOAPTPN1CYP19A1PTGS2
SCHEMBL29756135 0.71 MAOB (0.40) MAOBMAOAPTPN1ACHECYP19A1
SCHEMBL5240004 0.71 LMNA (0.44) MAOBMAOAPTPN1
SCHEMBL29076219 0.70 MAOB (0.57) MAOBMAOAACHESMN1; SMN2KDM4E
SCHEMBL4139411 0.70 MAOB (0.45) MAOBKDM4E

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
EP-2854529-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE Bayer Cropscience AG (DE) 2015-04-08 EP disclosed
WO-2013178664-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2013-12-05 WO disclosed