SCHEMBL8726558

SCHEMBL8726558

O=C(CCNC(=O)CCCCCCCCCCS)CCC(=O)CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.62
▸ PKM P14618 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ IDE P14735 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RIN1 Q13671 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CA12 O43570 3/20 0.57
▸ CA1 P00915 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ F2 P00734 1/20 0.54
▸ PRSS1 P07477 1/20 0.54
▸ PRSS2 P07478 1/20 0.54
▸ PRSS3 P35030 1/20 0.54
▸ TPSAB1 Q15661 1/20 0.54
▸ HLCS P50747 2/20 0.54

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
SCHEMBL9441571 0.93 TDP1 (0.71) TDP1PKMMEN1ABL1LMNA
SCHEMBL23514610 0.89 TDP1 (0.69) TDP1PKMMEN1ABL1LMNA
SCHEMBL3306968 0.89 TDP1 (0.69) TDP1PKMMEN1ABL1LMNA
SCHEMBL10063250 0.89 TDP1 (0.69) TDP1PKMMEN1ABL1LMNA
SCHEMBL12578920 0.88 TDP1 (0.71) TDP1PKMMEN1ABL1LMNA
SCHEMBL14255199 0.88 TDP1 (0.71) TDP1PKMMEN1ABL1LMNA
SCHEMBL12650837 0.88 TDP1 (0.71) TDP1PKMMEN1ABL1LMNA
SCHEMBL7902281 0.88 F2 (0.69) TDP1PKMMEN1ABL1LMNA
SCHEMBL18779801 0.87 TDP1 (0.78) TDP1PKMMEN1ABL1LMNA
SCHEMBL9412852 0.87 TDP1 (0.74) TDP1PKMMEN1ABL1LMNA

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-5763191-A BINDING MATRIX BOEHRINGER MANNHEIM GMBH (DE) 1998-06-09 — — US disclosed
EP-0515615-B1 UNIVERSAL BINDING FILM BOEHRINGER MANNHEIM GMBH (DE) 1996-09-04 — — EP disclosed
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