Allylamine

Allylamine

SCHEMBL11049347

C=C(Cl)CN.C=CCN.NCCBr.O=C(O)CNc1ccccc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.33
CDC25A P30304 1/20 0.33
ABAT P80404 1/20 0.33
TGM2 P21980 1/20 0.33
GRK2 P25098 2/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32

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
Allylamine SCHEMBL11599012 0.85 PKM (0.43) PKMLMNAKDM4EMEN1MAPT
Glycine SCHEMBL11667677 0.75 ABAT (0.47) PKMLMNAKDM4EMEN1MAPT
Hypochlorous Acid SCHEMBL11153596 0.75 ABAT (0.50) PKMLMNAKDM4EMEN1MAPT
Beta-Alanine SCHEMBL4159108 0.72 FFAR1 (0.50) PKMLMNAKDM4EMEN1MAPT
Hydrazine SCHEMBL2403240 0.72 ABAT (0.50) PKMLMNAKDM4EMEN1MAPT
Ethylene SCHEMBL8097301 0.72 ABAT (0.50) PKMLMNAKDM4EMEN1MAPT
SCHEMBL1330698 0.72 ABAT (0.53) PKMLMNAKDM4EMEN1MAPT
SCHEMBL7785939 0.72 ABAT (0.53) PKMLMNAKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL3069393 0.72 ABAT (0.53) PKMLMNAKDM4EMEN1MAPT
SCHEMBL41828 0.72 ABAT (0.53) PKMLMNAKDM4EMEN1MAPT

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
US-4472498-A BINDING PROTEIN FUJI PHOTO FILM CO., LTD. (JP) 1984-09-18 US disclosed