SCHEMBL28438121

SCHEMBL28438121

C=C(CCCN(C)C)C(N)=O.NCCl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH2 P25021 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4A O75164 12/20 0.32
KDM4C Q9H3R0 12/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 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
Chloromethane SCHEMBL4631106 0.92 ALDH1A1 (0.34) PAOXHRH4ALDH1A1CYP1A2HRH2
SCHEMBL37111 0.92 ALDH1A1 (0.36) PAOXHRH4ALDH1A1CYP1A2HRH2
Methylamine SCHEMBL31357347 0.90 ALDH1A1 (0.35) PAOXHRH4ALDH1A1CYP1A2HRH2
Hydrochloric Acid SCHEMBL2066267 0.90 KDM4A (0.38) PAOXHRH4ALDH1A1CYP1A2HRH2
Hydrochloric Acid SCHEMBL28885307 0.89 KDM4A (0.37) PAOXHRH4ALDH1A1CYP1A2HRH2
Methylamine SCHEMBL28366151 0.89 KDM4A (0.37) PAOXHRH4ALDH1A1CYP1A2HRH2
SCHEMBL865159 0.86 KDM4A (0.42) PAOXHRH4ALDH1A1CYP1A2HRH2
Sulfuric Acid SCHEMBL2065287 0.85 PAOX (0.36) PAOXHRH4ALDH1A1CYP1A2HRH2
SCHEMBL11083739 0.85 ALDH1A1 (0.36) PAOXHRH4ALDH1A1CYP1A2HRH2
SCHEMBL22205284 0.85 KDM4A (0.44) PAOXALDH1A1KDM4AKDM4CKDM5A

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
CN-106460027-B Method for separating and concentrating target substance using cationic graft polymer 日东纺绩株式会社 2020-07-31 CN disclosed