SCHEMBL25285853

SCHEMBL25285853

CCOC(=O)CC(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ RORC P51449 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44

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
SCHEMBL25285852 1.00 KDM4E (0.53) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL30987217 0.89 KDM4E (0.51) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL9039909 0.87 KDM4E (0.44) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL9039154 0.86 MEN1 (0.51) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL4420346 0.83 SMN1; SMN2 (0.64) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL25292601 0.81 CYP4F2 (0.44) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL25292600 0.81 CYP4F2 (0.44) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL31518037 0.81 CYP4F2 (0.44) KDM4ENPSR1GAASMN1; SMN2MAPT
SCHEMBL30577304 0.81 HPGD (0.53) GAASMN1; SMN2MAPTLMNAMEN1
SCHEMBL25293636 0.81 LMNA (0.42) KDM4ENPSR1GAASMN1; SMN2MAPT

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-4452953-A1 TRIAZINE HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2024-10-30 — — EP disclosed
WO-2023117670-A1 TRIAZINE HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-06-29 — — WO disclosed
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