SCHEMBL28644237

SCHEMBL28644237

NC(=O)Nc1ccccc1CF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL10887957 0.84 HTT (0.42) GAAALDH1A1MAPTHTTHPGD
SCHEMBL28644896 0.84 KDM4E (0.46) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL29840042 0.83 GAA (0.52) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL465541 0.83 GAA (0.52) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL13892090 0.82 GRIN2D (0.39) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL15591161 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HTTHPGDLMNA
Fluoride SCHEMBL10887962 0.82 HTT (0.45) GAAALDH1A1MAPTHTTHPGD
SCHEMBL29581227 0.82 MAPT (0.62) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7837046 0.82 ALDH1A1 (0.61) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL1953684 0.82 MAPT (0.62) GAAGRIN2DGRIN3BGRIN1GRIN2A

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-113484436-B Method for simultaneously determining content of five forbidden substances in bacteriostatic paper and application thereof 云南中烟工业有限责任公司 2022-07-12 CN disclosed
CN-113484436-A Method for simultaneously determining content of five forbidden substances in bacteriostatic paper and application thereof 云南中烟工业有限责任公司 2021-10-08 CN disclosed