SCHEMBL31436337

SCHEMBL31436337

[2H]C([2H])([2H])N(C(N)=NCCC[C@H](N)C(=O)O)C([2H])([2H])[2H]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.68
NOS1 P29475 9/20 0.61
NOS3 P29474 5/20 0.61
CYP2C19 P33261 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 2/20 0.60
TSHR P16473 2/20 0.60
GLA P06280 1/20 0.60
NFKB1 P19838 1/20 0.60
APEX1 P27695 1/20 0.60
DDAH1 O94760 6/20 0.58
THPO P40225 1/20 0.56
CYP3A4 P08684 1/20 0.55
BLM P54132 1/20 0.54

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
Hydrochloric Acid SCHEMBL30114268 0.98 NOS2 (0.66) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL14843061 0.89 NOS2 (0.79) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL995818 0.89 NOS2 (0.79) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL13484050 0.89 NOS2 (0.79) NOS2NOS1NOS3CYP2C19MEN1
SCHEMBL196828 0.89 NOS2 (0.79) NOS2NOS1NOS3CYP2C19MEN1
L-Nio SCHEMBL15944942 0.76 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL288835 0.76 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL43261 0.76 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL30679324 0.76 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1
Arginine SCHEMBL288993 0.76 NOS2 (1.00) NOS2NOS1NOS3CYP2C19MEN1

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-119881145-A Liquid chromatography tandem mass spectrometry method for measuring multiple amino acids 上海市徐汇区中心医院 2025-04-25 CN disclosed