SCHEMBL28161084

SCHEMBL28161084

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OCc2ccccc2)N1.[H+]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ IDE P14735 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ RIN1 Q13671 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CA12 O43570 8/20 0.56
▸ CA1 P00915 8/20 0.56
▸ CA2 P00918 8/20 0.56
▸ CA9 Q16790 8/20 0.56
▸ HPSE Q9Y251 1/20 0.56
▸ HLCS P50747 3/20 0.52
▸ SLC6A3 Q01959 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
SCHEMBL21488913 0.99 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL4352272 0.99 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL21488912 0.99 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL27996441 0.99 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL13585655 0.99 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL23124066 0.84 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL29556007 0.84 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL7157942 0.83 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL4829292 0.83 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL446893 0.82 TDP1 (0.79) 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
CN-105198901-B The improved method that a kind of de- benzyl synthesizes d biotins 浙江医药股份有限公司新昌制药厂 2017-08-15 — — CN disclosed
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