Alanine

Alanine

SCHEMBL28113518

CC(N)C(=O)O.[Au].c1cc2nc[nH]c2cn1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.38
QPCT Q16769 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
PRKCI P41743 1/20 0.36
MAPT P10636 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
Hydrazine SCHEMBL3450713 0.81 QPCT (0.49) NAMPTKDM4AKDM4BKDM5CKDM4C
SCHEMBL29837279 0.80
SCHEMBL89868 0.80
Benzimidazole SCHEMBL11555504 0.80 SMN1; SMN2 (0.48) NAMPTKDM4ESMN1; SMN2HTTQPCT
Benzimidazole SCHEMBL11555505 0.80 SMN1; SMN2 (0.48) NAMPTKDM4ESMN1; SMN2HTTQPCT
SCHEMBL2447586 0.79 QPCT (0.50) NAMPTKDM4AKDM4BKDM5CKDM4C
SCHEMBL27982386 0.79 QPCT (0.50) NAMPTKDM4AKDM4BKDM5CKDM4C
SCHEMBL2447581 0.79 QPCT (0.50) NAMPTKDM4AKDM4BKDM5CKDM4C
Purine SCHEMBL8066127 0.75 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2ALDH1A1CYP3A4SLC7A5
Purine SCHEMBL21998271 0.75 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2ALDH1A1CYP3A4SLC7A5

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-106279215-A A kind of nitrogenous aminoacid gold and application and preparation thereof 江南大学 2017-01-04 CN disclosed