SCHEMBL29005381

SCHEMBL29005381

CCOC(=O)CC(=O)c1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 4/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1931504 0.84 NLRP3 (0.55) NLRP3MAPTALDH1A1GAASMN1; SMN2
SCHEMBL1555582 0.83 ALDH1A1 (0.50) TDP1L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL16042167 0.80 TDP1 (0.44) TDP1L3MBTL1MAPTALDH1A1GAA
SCHEMBL2024670 0.80 NLRP3 (0.52) NLRP3MAPTALDH1A1MAPK1LMNA
SCHEMBL9272658 0.79 LMNA (0.44) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL6985762 0.78 TSHR (0.57) TDP1L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL1346377 0.78 LMNA (0.52) NLRP3MAPTALDH1A1MAPK1LMNA
SCHEMBL25204360 0.78 NLRP3 (0.49) NLRP3MAPTALDH1A1GAASMN1; SMN2
SCHEMBL954897 0.78 ALDH1A1 (0.57) TDP1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL30736569 0.78 ALDH1A1 (0.57) TDP1L3MBTL1MAPTALDH1A1LMNA

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-115802892-A Herbicidal cinnoline derivatives 先正达农作物保护股份公司 2023-03-14 CN disclosed