SCHEMBL29975488

SCHEMBL29975488

Cc1c(C(=O)OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
GPR35 Q9HC97 5/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
MITF O75030 1/20 0.47
CCR6 P51684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL11832545 1.00 KMT2A (0.52) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL5628047 0.90 KMT2A (0.56) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL11832564 0.89 CES2 (0.49) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL396778 0.86 NPC1 (0.54) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL394667 0.83 TSHR (0.57) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL29697071 0.83 TSHR (0.57) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL13338136 0.82 KMT2A (0.51) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL29975615 0.81 KMT2A (0.53) KMT2AMEN1POLBL3MBTL1ALDH1A1
Dinitolmide SCHEMBL29360311 0.81 ALDH1A1 (0.68) KMT2AMEN1POLBL3MBTL1ALDH1A1
Dinitolmide SCHEMBL43712 0.81 ALDH1A1 (0.68) KMT2AMEN1POLBL3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073534-A Synthetic method of emamectin benzoate 吴晓明 2022-09-20 CN claimed
CN-115073534-B Synthesis method of emamectin benzoate 吴晓明 2023-09-19 CN disclosed
CN-115073534-A Synthetic method of emamectin benzoate 吴晓明 2022-09-20 CN disclosed