SCHEMBL8669526

SCHEMBL8669526

CC(=O)Nc1ccc(OC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.68
▸ CA12 O43570 3/20 0.58
▸ CA1 P00915 3/20 0.58
▸ CA2 P00918 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ PKM P14618 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 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
▸ HPSE Q9Y251 1/20 0.53
▸ HLCS P50747 3/20 0.49
▸ ITGB1 P05556 1/20 0.49
▸ ITGA4 P13612 1/20 0.49
▸ PTPRF P10586 2/20 0.49
▸ PTPN2 P17706 2/20 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
SCHEMBL1720240 0.86 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL23124066 0.84 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL29556007 0.84 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL264799 0.81 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL28325842 0.80 TDP1 (0.68) TDP1CA12CA1CA2CA9
SCHEMBL10618585 0.80 TDP1 (0.65) TDP1CA12CA1CA2CA9
SCHEMBL10047701 0.80 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL21488759 0.80 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL20844951 0.80 TDP1 (1.00) TDP1CA12CA1CA2CA9
SCHEMBL19267509 0.80 TDP1 (1.00) TDP1CA12CA1CA2CA9

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
US-5747352-A Reagents and methods for the rapid and quantitative assay of pharmacological agents BECKMAN INSTRUMENTS, INC. (US) 1998-05-05 — — US disclosed
EP-0710361-A1 REAGENTS AND METHODS FOR THE RAPID AND QUANTITATIVE ASSAY OF PHARMACOLOGICAL AGENTS BECKMAN INSTRUMENTS, INC. (US) 1996-05-08 — — EP disclosed
WO-1995032428-A1 REAGENTS AND METHODS FOR THE RAPID AND QUANTITATIVE ASSAY OF PHARMACOLOGICAL AGENTS BECKMAN INSTRUMENTS, INC. (US) 1995-11-30 — — WO disclosed
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