SCHEMBL30018052

SCHEMBL30018052

CCOC(=O)C(F)(F)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 5/20 0.46
CES2 O00748 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
LMNA P02545 3/20 0.41
CTSB P07858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.39
GAA P10253 2/20 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
SCHEMBL1269240 0.86 RAB9A (0.50) RAB9AMAPK1NPC1MAPTNFKB1
SCHEMBL29389125 0.86 RAB9A (0.50) RAB9AMAPK1NPC1MAPTNFKB1
SCHEMBL20680552 0.85 RAB9A (0.52) RAB9AMAPK1NPC1MAPTNFKB1
SCHEMBL9591309 0.85 RAB9A (0.49) RAB9AMAPK1NPC1MAPTNFKB1
SCHEMBL16441715 0.84 RAB9A (0.48) RAB9AMAPK1NPC1MAPTNFKB1
SCHEMBL17420749 0.81 MAPT (0.44) RAB9AMAPK1NPC1MAPTALDH1A1
SCHEMBL21032477 0.80 MAPK1 (0.41) MAPK1NPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL30113041 0.79 PDE10A (0.45) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL12003887 0.79 NPSR1 (0.54) RAB9AMAPTALDH1A1CES2ACHE
SCHEMBL31569378 0.79 ALDH1A1 (0.41) MAPK1NPC1MAPTALDH1A1LMNA

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
EP-4091450-A1 3,3-DIFLUORO-2-OXOINDOLINE DERIVATIVES USEFUL IN WEED CONTROL Syngenta Crop Protection AG (CH) 2022-11-23 EP disclosed
EP-4091449-A1 WEED CONTROL METHOD Syngenta Crop Protection AG (CH) 2022-11-23 EP disclosed