Selenium

Selenium

SCHEMBL30199362

CC1CCN(NC(=S)S)CC1.[Se]

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
POLB P06746 2/20 0.38
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 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
SCHEMBL8718774 0.98 PHGDH (0.42) PHGDHMGLLPOLBCARM1PRMT6
SCHEMBL30199630 0.78 GPR119 (0.33) ALDH1A1MAPTCA1CA2CA12
SCHEMBL22229901 0.77 CA12 (0.41) ALDH1A1HPGDCYP1A2MAPTCYP2C9
SCHEMBL28959139 0.76 NPC1 (0.38) ALDH1A1HPGDCYP1A2MAPTCYP2C9
SCHEMBL2236049 0.76
SCHEMBL30199556 0.75 CA2 (0.53) PHGDHMGLLPOLBCARM1PRMT6
SCHEMBL28288402 0.75 PHGDH (0.41) PHGDHMGLLPOLBCARM1PRMT6
SCHEMBL8723710 0.75 ALDH1A1 (0.38) POLBALDH1A1HPGDMAPTRECQL
Selenium SCHEMBL31375748 0.74 CA12 (0.57) PHGDHMGLLALDH1A1CYP2C19NPC1
Selenium SCHEMBL31375752 0.74 CA12 (0.57) PHGDHMGLLALDH1A1CYP2C19NPC1

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-115716819-A Rubber multifunctional additive 4-methylpiperidinyl dithiocarbamic acid mercaptobenzimidazole selenium and preparation method and application thereof 华南理工大学 2023-02-28 CN claimed
CN-115716819-A Rubber multifunctional additive 4-methylpiperidinyl dithiocarbamic acid mercaptobenzimidazole selenium and preparation method and application thereof 华南理工大学 2023-02-28 CN disclosed