SCHEMBL30523219

SCHEMBL30523219

[C-]#[N+]CCc1cc(O)ccc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2866680 0.83 MEN1 (0.60) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL30523224 0.82 MAPT (0.47) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL27651620 0.82 MEN1 (0.58) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL30523220 0.82 MAPK1 (0.46) MEN1KMT2AUSP2GAARAB9A
SCHEMBL27302332 0.80 MEN1 (0.64) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL8415192 0.78 MEN1 (0.62) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL27588745 0.78 MEN1 (0.62) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL30523222 0.78 MAPT (0.44) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL4302289 0.77 MEN1 (0.53) MEN1KMT2AUSP2GAAKEAP1
SCHEMBL28933964 0.75 MEN1 (0.57) MEN1KMT2AUSP2GAAKEAP1

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-110761074-B Environment-friendly low-temperature water-repellent and oil-repellent composition 乳源东阳光氟有限公司 2023-08-08 CN claimed