SCHEMBL14419260

SCHEMBL14419260

O=C(O)COc1ccc(Cl)cc1C(=O)c1nccs1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
PTGDR2 Q9Y5Y4 14/20 0.51
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.48
KCNMA1 Q12791 1/20 0.46
PTGDR Q13258 3/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL14419259 0.85 MAPT (0.46) TDP1PTGDR2MAPTKCNMA1CYP2C9
SCHEMBL5623703 0.84 NPC1 (0.50) MAPTKCNMA1
SCHEMBL14419236 0.83 KCNMA1 (0.64) TDP1MAPTKCNMA1CYP2C9
SCHEMBL4627690 0.82 TDP1 (0.70) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL21276512 0.80 PTGDR2 (0.62) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL14419330 0.79 CYP2C9 (0.71) TDP1PTGDR2MAPTTSHRCYP2C9
SCHEMBL14419230 0.77 KCNMA1 (0.60) TDP1MAPTKCNMA1
SCHEMBL9209426 0.77 TDP1 (0.62) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL4143335 0.76 TDP1 (0.70) TDP1PTGDR2MAPTTSHRPTGDR
SCHEMBL14419338 0.76 PTGDR2 (0.55) TDP1PTGDR2MAPTTSHRPTGDR

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
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed