Biotin

Biotin

SCHEMBL16897730

O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ ABL1 P00519 1/20 1.00
▸ LMNA P02545 1/20 1.00
▸ PKM P14618 1/20 1.00
▸ IDE P14735 1/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ RIN1 Q13671 1/20 1.00
▸ L3MBTL1 Q9Y468 1/20 1.00
▸ HLCS P50747 6/20 0.69
▸ CA12 O43570 7/20 0.56
▸ CA1 P00915 7/20 0.56
▸ CA2 P00918 7/20 0.56
▸ CA9 Q16790 7/20 0.56

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
Biotin SCHEMBL13272362 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL10047687 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8763 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL14489489 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL38817 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23055065 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL21981206 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL20547409 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL22943835 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL5690544 1.00 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM

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
EP-3092243-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2016-11-16 — — EP disclosed
WO-2015104300-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-16 — — WO disclosed
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