SCHEMBL28825055

SCHEMBL28825055

c1ccc([Se]CC2CCC(c3ccccc3)=N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL28825053 0.90 CYP1A2 (0.34) SMN1; SMN2KDM4ENPC1MAPTMAPK1
SCHEMBL29839561 0.90 MAOA (0.35) CHRNB4CHRNA3KDM4EGLAMAPT
SCHEMBL28949497 0.80 ALDH1A1 (0.33) KDM4ENPC1GLAMAPTMAPK1
SCHEMBL28825071 0.78 NOS3 (0.35) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL29234926 0.77 — —
SCHEMBL27884019 0.72 TAAR1 (0.37) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL28298385 0.70 NOS1 (0.40) NOS1NOS2
SCHEMBL22546693 0.66 NISCH (0.41) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL22546622 0.66 NISCH (0.41) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL28825073 0.66 CHRNB4 (0.31) CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805163-B Method for synthesizing organic selenium compound 西南石油大学 2024-06-21 — — CN disclosed
CN-114805163-A Synthetic method of organic selenium compound 西南石油大学 2022-07-29 — — CN disclosed
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