SCHEMBL8646594

SCHEMBL8646594

N[C@@H](CS)C(=O)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.64
▸ MEN1 O00255 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ IDE P14735 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ RIN1 Q13671 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HLCS P50747 6/20 0.52
▸ CA12 O43570 6/20 0.47
▸ CA1 P00915 6/20 0.47
▸ CA2 P00918 6/20 0.47
▸ CA9 Q16790 6/20 0.47
▸ HPSE Q9Y251 1/20 0.45

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
SCHEMBL22190207 0.89 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL28780247 0.88 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL28346778 0.88 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL28119479 0.85 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL21114407 0.85 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL28283183 0.85 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL21176811 0.85 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL30058455 0.84 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL28329063 0.84 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL22265330 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627939-A1 CONJUGATES OF BIOTIN AND DEFEROXAMINE FOR RADIOIMMUNOIMAGING AND RADIOIMMUNOTHERAPY THE UNIVERSITY OF ROCHESTER (US) 1994-12-14 — — EP claimed
EP-3088004-B1 CYSTEINE ENGINEERED ANTIBODIES AND CONJUGATES GENENTECH INC (US) 2018-03-28 — — EP disclosed
US-5807879-A Biotinidase-resistant biotinylated compound and methods of use thereof UNIVERSITY OF ROCHESTER (US) 1998-09-15 — — US disclosed
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