SCHEMBL22018658

SCHEMBL22018658

CC(C)N(C)C(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.35
USP5 P45974 1/20 0.33
HDAC4 P56524 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ITK Q08881 1/20 0.31
GRM1 Q13255 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
SCHEMBL22018047 0.88 HPGD (0.35) USP5KDM4EPOLB
SCHEMBL22018048 0.83 GABRA5 (0.32) GABRA5HDAC4GRM1
SCHEMBL22017867 0.82 KDM4E (0.32) KDM4EPOLB
SCHEMBL22018295 0.81 KDM4E (0.47) KDM4EPOLB
Bromide SCHEMBL28625205 0.80 KDM4E (0.46) KDM4EPOLB
Bromide SCHEMBL28625208 0.80 KDM4E (0.46) KDM4EPOLB
SCHEMBL24145400 0.79 SCN9A (0.32)
SCHEMBL22017881 0.79 BRD4 (0.33)
SCHEMBL22336368 0.78 P4HTM (0.36) GABRA5KDM4EPOLB
Hydrochloric Acid SCHEMBL22322580 0.77 HCAR2 (0.39) GABRA5KDM4EPOLB

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed