Biotin

Biotin

SCHEMBL3667448

NCCn1c(=O)n(C2CCN(C(=O)O)CC2)c2ccccc21.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CACNA1G O43497 1/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ CA12 O43570 8/20 0.43
▸ CA1 P00915 8/20 0.43
▸ CA2 P00918 8/20 0.43
▸ CA9 Q16790 8/20 0.43
▸ SLC18A3 Q16572 2/20 0.41
▸ SLC6A3 Q01959 1/20 0.40
▸ HLCS P50747 1/20 0.39

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 SCHEMBL3742251 0.84 CA12 (0.41) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3668898 0.79 CA12 (0.45) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL453833 0.74 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL16147350 0.74 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23496579 0.74 TDP1 (0.83) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL18993019 0.74 TDP1 (0.83) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL6865574 0.73 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL2057282 0.73 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL7990657 0.73 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23124079 0.73 TDP1 (0.81) 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-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO claimed
Send feedback