Biotin

Biotin

SCHEMBL8432238

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

nearest known ligand 0.76

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.76
MEN1 O00255 1/20 0.76
ABL1 P00519 1/20 0.76
LMNA P02545 1/20 0.76
PKM P14618 1/20 0.76
IDE P14735 1/20 0.76
MAPK1 P28482 1/20 0.76
KMT2A Q03164 1/20 0.76
RIN1 Q13671 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
HLCS P50747 6/20 0.57
CA12 O43570 7/20 0.51
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA9 Q16790 7/20 0.51

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 SCHEMBL8428676 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3425472 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL770770 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL739967 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8760656 0.94 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL16653090 0.93 TDP1 (0.83) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL27481189 0.92 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL6865574 0.91 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL453833 0.90 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8672971 0.89 TDP1 (0.76) 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
US-5856571-A Semicarbazide-containing linker compounds for formation of stably-linked conjugates and methods related thereto CELLPRO, INCORPORATED (US) 1999-01-05 US disclosed
WO-1996040263-A2 SEMICARBAZIDE-CONTAINING LINKER COMPOUNDS FOR FORMATION OF STABLY-LINKED CONJUGATES AND METHODS RELATED THERETO CELLPRO, INCORPORATED (US) 1996-12-19 WO disclosed