SCHEMBL7545265

SCHEMBL7545265

O=C1N[C@H]2[C@H](CS[C@H]2CCCC(NC(=S)S)C(=O)O)N1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ FOLH1 Q04609 6/20 0.51
▸ HLCS P50747 6/20 0.51
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL3962036 0.85 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL5341777 0.84 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL30337427 0.82 HLCS (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL6159219 0.81 HLCS (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL29521761 0.81 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL487045 0.81 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL875085 0.80 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL10140261 0.80 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL2458624 0.80 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL425273 0.80 TDP1 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767383-B1 Metal ion determination by sandwich aggregation assay BAYER AG (US) 2002-06-12 — — EP disclosed
US-5814521-A CONTACTING POLYVALENT METAL ION IN LIQUID MATRIX WITH CHELATING AGENT, LINKING CHELATING AGENT TO CARRIER, MEASURING AGGREGATION AS FUNCTION OF AMOUNT OF ION PRESENT BAYER CORPORATION (US) 1998-09-29 — — US disclosed
EP-0767383-A1 Metal ion determination by sandwich aggregation assay Bayer Corporation (US) 1997-04-09 — — EP disclosed
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