SCHEMBL29501873

SCHEMBL29501873

O=c1[nH]c(NO)nc2c1NCCN2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL29016448 0.82 TYMS (0.37) NOS1NOS3NOS2
SCHEMBL31561468 0.76 CASP7 (0.34) NOS1
SCHEMBL26018101 0.72 NOS1 (0.32) NOS1
SCHEMBL12102081 0.72 ALDH1A1 (0.38) NOS1NOS3NOS2
SCHEMBL3454164 0.72 NOS1 (0.53) NOS1NOS3NOS2
SCHEMBL3781351 0.58 — —
SCHEMBL2523525 0.57 NOS1 (0.53) NOS1NOS3NOS2
SCHEMBL6514832 0.56 NOS1 (0.31) NOS1
SCHEMBL12807134 0.54 NOS1 (0.34) NOS1NOS3NOS2
SCHEMBL10064935 0.52 TYMS (0.41) NOS1NOS3NOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262681-A Berberine producing strain, and establishing method and application thereof 中国科学院分子植物科学卓越创新中心 2022-04-01 — — CN claimed
CN-119570825-A Method for efficiently synthesizing protoberberine compounds and application thereof 中国科学院分子植物科学卓越创新中心 2025-03-07 — — CN disclosed
CN-114262681-A Berberine producing strain, and establishing method and application thereof 中国科学院分子植物科学卓越创新中心 2022-04-01 — — CN disclosed
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