SCHEMBL28898306

SCHEMBL28898306

CC(=Cc1ccc(OC=O)cc1)[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.59
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
JAK2 O60674 1/20 0.57
MITF O75030 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
NTSR1 P30989 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
EGFR P00533 3/20 0.53
ABL1 P00519 1/20 0.53
ABL2 P42684 1/20 0.53
S1PR4 O95977 1/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL10772748 0.84 FBP1 (0.65) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL9656291 0.83 FBP1 (0.62) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL9657482 0.83 FBP1 (0.62) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL9717632 0.80 FBP1 (0.59) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL10839779 0.79 FBP1 (0.57) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL10839774 0.79 FBP1 (0.57) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL28593122 0.78 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL9717629 0.78 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL9717631 0.78 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL9269717 0.78 FBP1 (0.56) FBP1ALDH1A1LMNAMAPTMEN1

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-115380909-A Synergistic fungicidal mixtures for controlling fungi in cereals 阿达玛马克西姆股份有限公司 2022-11-25 CN disclosed