SCHEMBL22017867

SCHEMBL22017867

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CNR2 P34972 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
GRM5 P41594 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
SCHEMBL22018295 0.83 KDM4E (0.47) KDM4EPOLB
Bromide SCHEMBL28625208 0.82 KDM4E (0.46) KDM4EPOLB
Bromide SCHEMBL28625205 0.82 KDM4E (0.46) KDM4EPOLB
SCHEMBL22018658 0.82 GABRA5 (0.35) KDM4EPOLB
SCHEMBL22018047 0.80 HPGD (0.35) KDM4EPOLB
SCHEMBL22017881 0.79 BRD4 (0.33)
SCHEMBL22336368 0.78 P4HTM (0.36) KDM4EPOLB
Trifluoroacetic Acid SCHEMBL28630129 0.78 NR1H3 (0.40) KDM4EPOLB
SCHEMBL22018297 0.78 BAZ2B (0.39) KDM4EPOLBGRM5
Hydrochloric Acid SCHEMBL22322580 0.77 HCAR2 (0.39) KDM4EPOLB

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