SCHEMBL31492285

SCHEMBL31492285

N=C=O.Nc1cccnc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
NAPRT Q6XQN6 1/20 0.44
BACE1 P56817 1/20 0.38
SHMT2 P34897 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAP4K4 O95819 1/20 0.36
KMT2A Q03164 2/20 0.36
PRKCI P41743 2/20 0.36
HSP90AA1 P07900 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP2 O95551 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
SCHEMBL88338 0.86
SCHEMBL1066257 0.86 NOS3 (0.56) NOS3NOS1NOS2NAPRTBACE1
SCHEMBL29361805 0.86
Hydrochloric Acid SCHEMBL30705723 0.84
Hydrochloric Acid SCHEMBL3635798 0.84
Hydrochloric Acid SCHEMBL3634586 0.84 NOS3 (0.54) NOS3NOS1NOS2NAPRTBACE1
Ammonia Solution, Strong SCHEMBL9861038 0.84 NOS3 (0.54) NOS3NOS1NOS2NAPRTBACE1
SCHEMBL20481061 0.84
Hydrochloric Acid SCHEMBL30705722 0.84 NOS3 (0.54) NOS3NOS1NOS2NAPRTBACE1
Iodide SCHEMBL27517200 0.84

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-119890430-A Preparation method and application of self-repairing polymer solid electrolyte material based on ten-double hydrogen bonds 华中科技大学 2025-04-25 CN claimed