SCHEMBL28825053

SCHEMBL28825053

Clc1ccc(C2=NC(C[Se]c3ccccc3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ALOX15B O15296 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ ERBB2 P04626 2/20 0.31

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
SCHEMBL28825055 0.90 CHRNB4 (0.33) KDM4EL3MBTL1MAPTMAPK1TDP1
SCHEMBL29234926 0.86 — —
SCHEMBL29839561 0.81 MAOA (0.35) ALDH1A1KDM4EL3MBTL1MAPTMEN1
SCHEMBL28949497 0.74 ALDH1A1 (0.33) CYP1A2ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL14457932 0.70 NOS1 (0.42) CYP1A2ALDH1A1KDM4EMAPTMEN1
SCHEMBL28714501 0.65 NISCH (0.39) ALDH1A1KDM4EL3MBTL1NPSR1NPC1
SCHEMBL38651992 0.64 TAAR1 (0.42) ALDH1A1KDM4EL3MBTL1MAPTMEN1
SCHEMBL4505849 0.64 L3MBTL1 (0.43) CYP1A2ALDH1A1L3MBTL1MAPTNPC1
SCHEMBL4505854 0.64 L3MBTL1 (0.43) CYP1A2ALDH1A1L3MBTL1MAPTNPC1
SCHEMBL14457934 0.59 SMN1; SMN2 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2MAOB

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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