Biotin

Biotin

SCHEMBL8366189

N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ IDE P14735 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ RIN1 Q13671 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ CA12 O43570 9/20 0.56
▸ CA1 P00915 9/20 0.56
▸ CA2 P00918 9/20 0.56
▸ CA9 Q16790 9/20 0.56
▸ HLCS P50747 3/20 0.49
▸ FOLH1 Q04609 1/20 0.47

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 SCHEMBL10618578 0.92 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3486836 0.86 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL16147350 0.86 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL446893 0.86 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8011738 0.85 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8011736 0.85 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL5903513 0.85 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL5903509 0.85 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL10618585 0.85 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL4300416 0.85 CA12 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999057240-A2 HIGH-THROUGHPUT IN VITRO ASSAYS FOR MODULATORS OF PEPTIDYL TRANSFERASE TULARIK, INC. (US) 1999-11-11 — — WO disclosed
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