SCHEMBL14860944

SCHEMBL14860944

O=C1NC(=S)/C(=C/c2cccc(O)c2O)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 17/20 1.00
▸ TDP2 O95551 1/20 0.76
▸ PNP P00491 2/20 0.57
▸ NAT1 P18440 2/20 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
SCHEMBL14860947 1.00 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL14860946 1.00 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL14860911 0.88 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL14860908 0.88 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL14860912 0.88 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL14860897 0.87 TDP1 (1.00) TDP1TDP2PNP
SCHEMBL14860900 0.87 TDP1 (1.00) TDP1TDP2PNP
SCHEMBL14860899 0.87 TDP1 (1.00) TDP1TDP2PNP
SCHEMBL8189592 0.82 TDP1 (0.70) TDP1TDP2PNPNAT1
SCHEMBL8189590 0.82 TDP1 (0.70) TDP1TDP2PNPNAT1

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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