SCHEMBL21963671

SCHEMBL21963671

COP(=O)(CC[n+]1cc(-c2ncccn2)sn1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL22015229 0.84
SCHEMBL21963670 0.81 KMT2A (0.33) KMT2APTGS2ALDH1A1KDM4E
SCHEMBL22014912 0.77
SCHEMBL22014602 0.75 HDAC1 (0.31)
SCHEMBL22014911 0.70 FDPS (0.33) KMT2AALDH1A1
SCHEMBL21963674 0.70
Bromide SCHEMBL21963675 0.69 FDPS (0.32)
SCHEMBL22014609 0.68
SCHEMBL27877653 0.67 ALDH1A1 (0.42) KMT2AALDH1A1
SCHEMBL22014601 0.67

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
WO-2020099407-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed