SCHEMBL14860913

SCHEMBL14860913

COc1cc(/C=C2/SC(=O)NC2=S)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 1.00
▸ PIM1 P11309 4/20 0.79
▸ PIM3 Q86V86 4/20 0.79
▸ PIM2 Q9P1W9 4/20 0.79
▸ GSK3B P49841 3/20 0.79
▸ CDC7 O00311 2/20 0.79
▸ DAPK3 O43293 2/20 0.79
▸ DYRK3 O43781 2/20 0.79
▸ MAP4K4 O95819 2/20 0.79
▸ RPS6KB1 P23443 2/20 0.79
▸ CSNK1D P48730 2/20 0.79
▸ CLK2 P49760 2/20 0.79
▸ GSK3A P49840 2/20 0.79
▸ NEK4 P51957 2/20 0.79
▸ CSNK1G2 P78368 2/20 0.79
▸ CAMK2D Q13557 2/20 0.79
▸ DYRK1A Q13627 2/20 0.79
▸ MINK1 Q8N4C8 2/20 0.79
▸ HIPK4 Q8NE63 2/20 0.79
▸ BRSK1 Q8TDC3 2/20 0.79

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
SCHEMBL14860909 1.00 TDP1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL14860914 1.00 TDP1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL1248757 0.88 PIM1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL1248758 0.88 PIM1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL15421409 0.88 PIM1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL14860898 0.85 TDP1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL8182124 0.85 TDP1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL8182123 0.85 TDP1 (1.00) TDP1PIM1PIM3PIM2GSK3B
SCHEMBL14860883 0.84 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL14860886 0.84 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013055771-A1 THIOXOTHIAZOLIDINONE DERIVATIVES USEFUL AS INHIBITORS OF TDP1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-04-18 — — WO disclosed
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