SCHEMBL13749538

SCHEMBL13749538

Nc1ccc2cn[nH]c2c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
CHEK1 O14757 2/20 0.40
ROCK1 Q13464 2/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL16931393 0.79 ERN1 (0.47) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL2272244 0.75 MAPT (0.66) MAPTKDM4EMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL9534267 0.73 MAPT (0.63) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL23884574 0.72 MAPT (0.52) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL2919847 0.72 MAPT (0.61) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL1072434 0.72 MAPT (0.52) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL7573563 0.72 MAPT (0.52) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL12846492 0.70 CYP2A6 (0.39)
SCHEMBL4083790 0.70 CHEK1 (0.46) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL25242753 0.69 MAPT (0.53) MAPTKDM4EMEN1KMT2AHTT

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
EP-1984354-B1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed