SCHEMBL20537323

SCHEMBL20537323

CN(CCN(C)[N+](=O)[O-])C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6124296 0.83 TSHR (0.37) ALDH1A1
SCHEMBL3763074 0.80 NPC1 (0.36) LMNAALDH1A1MEN1BLMKMT2A
SCHEMBL1934253 0.72 CA12 (0.40) ALDH1A1
SCHEMBL52755 0.70
SCHEMBL20756157 0.70 CHRM1 (0.41) ALDH1A1
SCHEMBL21815374 0.69 NOS3 (0.38) ALDH1A1
SCHEMBL28903229 0.69 NOS3 (0.38) ALDH1A1
SCHEMBL29956579 0.69
SCHEMBL19924618 0.69 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8376071 0.67 EPHX2 (0.40) ALDH1A1

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
EP-3392373-A1 COMPOSITIONS CONTAINING PRIMARY AROMATIC AMINES FOR THE CORROSION PROTECTION PRETREATMENT OF METALLIC COMPONENTS Henkel AG & Co. KGaA (DE) 2018-10-24 EP disclosed