SCHEMBL28010731

SCHEMBL28010731

Cc1ccc(Sc2ccccc2)cc1.[SeH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ HKDC1 Q2TB90 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HPGD P15428 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MLYCD O95822 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45

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
SCHEMBL17283459 0.97 TDP1 (0.54) TDP1MAPTL3MBTL1NPSR1HKDC1
SCHEMBL1109534 0.97 TDP1 (0.54) TDP1MAPTL3MBTL1NPSR1HKDC1
Hydrochloric Acid SCHEMBL11114392 0.92 TDP1 (0.50) TDP1MAPTL3MBTL1NPSR1HKDC1
Ethylene SCHEMBL28185108 0.92 TDP1 (0.50) TDP1MAPTL3MBTL1NPSR1HKDC1
Diphenylsulfane SCHEMBL2441652 0.89 ACHE (0.65) TDP1MAPTL3MBTL1NPSR1HKDC1
SCHEMBL12245875 0.86 ACHE (0.57) TDP1MAPTL3MBTL1NPSR1HKDC1
SCHEMBL11121834 0.86 ACHE (0.57) TDP1MAPTL3MBTL1NPSR1HKDC1
SCHEMBL83853 0.86 ACHE (0.57) TDP1MAPTL3MBTL1NPSR1HKDC1
SCHEMBL25495182 0.84 MAPT (0.44) TDP1MAPTL3MBTL1NPSR1HKDC1
SCHEMBL685341 0.84 ALDH1A1 (0.47) TDP1MAPTL3MBTL1NPSR1HKDC1

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-104529849-A Synthesis of (Z) type seleno-thio olefin compound under catalysis of inorganic alkali metal or alkali metal salt UNIV HUNAN 2015-04-22 — — CN claimed
CN-104529849-A Synthesis of (Z) type seleno-thio olefin compound under catalysis of inorganic alkali metal or alkali metal salt UNIV HUNAN 2015-04-22 — — CN disclosed
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