SCHEMBL14860898

SCHEMBL14860898

COc1cc(/C=C2/SC(=O)NC2=S)cc(OC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 1.00
▸ IGF1R P08069 2/20 0.75
▸ MEN1 O00255 3/20 0.71
▸ MAPT P10636 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ LMNA P02545 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ RECQL P46063 1/20 0.71
▸ CISD1 Q9NZ45 1/20 0.67
▸ PNP P00491 1/20 0.58
▸ GSK3B P49841 2/20 0.56
▸ PIM1 P11309 2/20 0.56
▸ PIM3 Q86V86 2/20 0.56
▸ PIM2 Q9P1W9 2/20 0.56
▸ CDC7 O00311 1/20 0.56
▸ DAPK3 O43293 1/20 0.56
▸ DYRK3 O43781 1/20 0.56
▸ MAP4K4 O95819 1/20 0.56
▸ PHKG2 P15735 1/20 0.56

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
SCHEMBL8182124 1.00 TDP1 (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL8182123 1.00 TDP1 (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL1249176 0.86 IGF1R (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL15421448 0.86 IGF1R (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL1249172 0.86 IGF1R (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL14860914 0.85 TDP1 (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL14860909 0.85 TDP1 (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL14860913 0.85 TDP1 (1.00) TDP1IGF1RMEN1MAPTKMT2A
SCHEMBL8172875 0.81 TDP1 (0.68) TDP1MEN1MAPTKMT2AALDH1A1
SCHEMBL8172873 0.81 TDP1 (0.68) TDP1MEN1MAPTKMT2AALDH1A1

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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