SCHEMBL28530258

SCHEMBL28530258

Cc1nnc(S)n1N=Cc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
THPO P40225 1/20 0.46
CHRM5 P08912 1/20 0.46
GRM5 P41594 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
CYP2C9 P11712 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7261903 0.90 CYP1A2 (0.71) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL7261906 0.90 CYP1A2 (0.71) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL28527168 0.86 CYP1A2 (0.80) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL28524362 0.83 CYP1A2 (0.58) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL28521419 0.83 CYP1A2 (0.58) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL28530430 0.82 MEN1 (0.54) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL28238284 0.82 MEN1 (0.77) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL28520476 0.81 MAPT (0.62) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL29465902 0.78 ALDH1A1 (0.52) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL28938664 0.78 ALDH1A1 (0.52) CYP1A2MEN1KMT2ALMNAMAPT

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-108358896-B Compound for preparing medicine for preventing and treating crop pathogenic bacteria and preparation method 贵州大学 2021-01-08 CN disclosed