SCHEMBL9381607

SCHEMBL9381607

O=C(O)COc1cc(C(=O)O)nc2cc(Cl)ccc12

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ PTGDR2 Q9Y5Y4 9/20 0.47
▸ PTGDR Q13258 5/20 0.47
▸ PTGER2 P43116 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 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
SCHEMBL9378776 0.90 TDP1 (0.54) TDP1MAPTTSHRPTGDR2PTGDR
SCHEMBL19579748 0.86 ALOX15 (0.49) MAPTTSHRALOX15
SCHEMBL9379799 0.84 PKM (0.50) TDP1MAPTPTGDR2PTGDRALOX15
SCHEMBL9379478 0.83 KDM4E (0.46) TDP1MAPTTSHRALOX15KDM4E
SCHEMBL9378807 0.83 ALOX15 (0.66) TDP1MAPTPTGDR2ALOX15KDM4E
SCHEMBL27309537 0.83 TDP1 (0.51) TDP1MAPTTSHRPTGDR2PTGDR
SCHEMBL9384011 0.82 ALOX15 (0.53) PTGDR2ALOX15KDM4E
SCHEMBL1611157 0.78 TDP1 (0.49) TDP1MAPTTSHRPTGDR2ALOX15
SCHEMBL29567556 0.78 TDP1 (0.49) TDP1MAPTTSHRPTGDR2ALOX15
SCHEMBL9383828 0.77 PTGDR (0.48) MAPTTSHRPTGDR2PTGDRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US claimed
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 — — EP disclosed
US-5112821-A Excitatory amino acid antagonists which are certain thienopyridives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US disclosed
EP-0398283-A1 Excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-22 — — EP disclosed
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