SCHEMBL22014602

SCHEMBL22014602

COP(=O)(O)CC[n+]1cc(-c2ncccn2)sn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31

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
SCHEMBL21963670 0.87 KMT2A (0.33)
SCHEMBL22015229 0.87
SCHEMBL22014911 0.85 FDPS (0.33) HDAC1
Bromide SCHEMBL21963675 0.84 FDPS (0.32) HDAC1
SCHEMBL22014912 0.82
SCHEMBL21963674 0.80
SCHEMBL22015234 0.76 ALDH1A1 (0.39) HDAC1
SCHEMBL22014609 0.75
SCHEMBL22015230 0.74 ALDH1A1 (0.36) HDAC1
SCHEMBL22014606 0.73 ALDH1A1 (0.38) HDAC1

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