Biotin

Biotin

SCHEMBL8760656

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

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.72
MEN1 O00255 1/20 0.72
ABL1 P00519 1/20 0.72
LMNA P02545 1/20 0.72
PKM P14618 1/20 0.72
IDE P14735 1/20 0.72
MAPK1 P28482 1/20 0.72
KMT2A Q03164 1/20 0.72
RIN1 Q13671 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
HLCS P50747 5/20 0.55
CA12 O43570 6/20 0.54
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA9 Q16790 6/20 0.54
FOLH1 Q04609 2/20 0.48

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 SCHEMBL8432238 0.94 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3425472 0.92 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL770770 0.92 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL739967 0.92 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL16653090 0.91 TDP1 (0.83) TDP1MEN1ABL1LMNAPKM
SCHEMBL14812382 0.91 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL28257819 0.90 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL565406 0.90 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL19514780 0.90 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL5585660 0.90 TDP1 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656742-A Ring-opened purine compounds for labeling polynucleotides UNIVERSITY OF MIAMI (US) 1997-08-12 US disclosed
EP-0625985-B1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES UNIV MIAMI (US) 1997-06-11 EP disclosed
US-5593829-A Method for labeling DNA by ring-opening of purine bases UNIVERSITY OF MIAMI (US) 1997-01-14 US disclosed
EP-0625985-A1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES. UNIV MIAMI (US) 1994-11-30 EP disclosed
WO-1993011146-A1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES UNIVERSITY OF MIAMI (US) 1993-06-10 WO disclosed