SCHEMBL27832339

SCHEMBL27832339

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OBr)N1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.77
▸ MEN1 O00255 1/20 0.71
▸ ABL1 P00519 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ IDE P14735 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ RIN1 Q13671 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.71
▸ HLCS P50747 6/20 0.63
▸ CA12 O43570 5/20 0.52
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 5/20 0.52
▸ CA9 Q16790 5/20 0.52
▸ HPSE Q9Y251 1/20 0.49

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
SCHEMBL22290232 0.91 TDP1 (0.82) TDP1MEN1ABL1LMNAPKM
SCHEMBL21114407 0.89 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL21176811 0.89 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL28283183 0.89 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL28119479 0.89 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL22265330 0.88 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
SCHEMBL23065674 0.87 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL7109641 0.87 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL19170150 0.87 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL20844951 0.87 TDP1 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108120810-A A kind of method that biotinylated probe joint protein chip finds small-molecule chemical medicine target spot 宁波源溯生物科技有限公司 2018-06-05 — — CN claimed
CN-102095874-A Method for searching small molecular chemical medicament target by using biotin labeling probe and protein chip CGENETECH SUZHOU CHINA CO LTD 2011-06-15 — — CN claimed
CN-110763530-B Method for modifying selenocysteine and application thereof 中国科学院上海有机化学研究所 2021-11-02 — — CN disclosed
CN-110763530-A Method for modifying selenocysteine and application thereof 中国科学院上海有机化学研究所 2020-02-07 — — CN disclosed
CN-108120810-A A kind of method that biotinylated probe joint protein chip finds small-molecule chemical medicine target spot 宁波源溯生物科技有限公司 2018-06-05 — — CN disclosed
CN-102095874-A Method for searching small molecular chemical medicament target by using biotin labeling probe and protein chip CGENETECH SUZHOU CHINA CO LTD 2011-06-15 — — CN disclosed
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