SCHEMBL22018051

SCHEMBL22018051

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.38
PDE10A Q9Y233 2/20 0.37
ATM Q13315 1/20 0.37
NR1H3 Q13133 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.36
PLAU P00749 1/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 1/20 0.35

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 0.84 KDM4E (0.47) KMT2AKDM4EEGFRERBB2HTT
Bromide SCHEMBL28625208 0.83 KDM4E (0.46) KMT2AKDM4EEGFRERBB2HTT
Bromide SCHEMBL28625205 0.83 KDM4E (0.46) KMT2AKDM4EEGFRERBB2HTT
SCHEMBL28628443 0.83 KDM4E (0.46) KMT2AKDM4EEGFRERBB2HTT
SCHEMBL22018048 0.81 GABRA5 (0.32)
SCHEMBL22018305 0.80 HPGD (0.34) KDM4EHPGD
SCHEMBL22018654 0.80 KDM4E (0.43) KMT2AKDM4EEGFRERBB2HTT
Bromide SCHEMBL21964158 0.79 KDM4E (0.42) KMT2AKDM4EEGFRERBB2HTT
SCHEMBL22018296 0.78 ALDH1A1 (0.30) KMT2AHPGD
Trifluoroacetic Acid SCHEMBL28630129 0.77 NR1H3 (0.40) KMT2AKDM4EEGFRERBB2HTT

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