SCHEMBL22018295

SCHEMBL22018295

CN(C(=O)c1cc[n+](CCC(=O)O)nc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.39
NR1H3 Q13133 2/20 0.39
MAOA P21397 2/20 0.38
PLAU P00749 1/20 0.38
POLB P06746 2/20 0.38
PDE10A Q9Y233 1/20 0.37
NR1H2 P55055 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
Bromide SCHEMBL28625205 0.99 KDM4E (0.46) KDM4EKMT2AEGFRERBB2HTT
Bromide SCHEMBL28625208 0.99 KDM4E (0.46) KDM4EKMT2AEGFRERBB2HTT
SCHEMBL28628443 0.91 KDM4E (0.46) KDM4EKMT2AEGFRERBB2HTT
Trifluoroacetic Acid SCHEMBL28630129 0.91 NR1H3 (0.40) KDM4EKMT2AEGFRERBB2HTT
SCHEMBL22018654 0.88 KDM4E (0.43) KDM4EKMT2AEGFRERBB2HTT
Bromide SCHEMBL21964158 0.87 KDM4E (0.42) KDM4EKMT2AEGFRERBB2HTT
SCHEMBL22018051 0.84 KMT2A (0.44) KDM4EKMT2AEGFRERBB2HTT
SCHEMBL22017867 0.83 KDM4E (0.32) KDM4EPOLB
SCHEMBL28630126 0.82 NR1H3 (0.39) KDM4EKMT2AEGFRERBB2HTT
SCHEMBL22018658 0.81 GABRA5 (0.35) 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