SCHEMBL14860979

SCHEMBL14860979

O=C1NC(=S)C(=Cc2cc(O)ccc2O)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 18/20 1.00
▸ TDP2 O95551 1/20 0.68
▸ PNP P00491 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.57
▸ NSD2 O96028 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL14860977 1.00 TDP1 (1.00) TDP1TDP2PNPKDM4ENSD2
SCHEMBL14860975 1.00 TDP1 (1.00) TDP1TDP2PNPKDM4ENSD2
SCHEMBL14860935 0.88 TDP1 (1.00) TDP1TDP2PNPKDM4ENSD2
SCHEMBL14860937 0.88 TDP1 (1.00) TDP1TDP2PNPKDM4ENSD2
SCHEMBL14860934 0.88 TDP1 (1.00) TDP1TDP2PNPKDM4ENSD2
SCHEMBL8183001 0.82 TDP1 (0.70) TDP1TDP2PNPPOLBMAPT
SCHEMBL8183002 0.82 TDP1 (0.70) TDP1TDP2PNPPOLBMAPT
SCHEMBL8172470 0.82 TDP1 (0.70) TDP1TDP2PNPKDM4ENSD2
SCHEMBL8172469 0.82 TDP1 (0.70) TDP1TDP2PNPKDM4ENSD2
SCHEMBL14860911 0.82 TDP1 (1.00) TDP1TDP2PNPGAAMAPT

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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