SCHEMBL9378776

SCHEMBL9378776

O=C(O)COc1cc(C(=O)O)nc2ccc(Cl)cc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ PTGDR2 Q9Y5Y4 10/20 0.48
▸ PTGDR Q13258 5/20 0.48
▸ PTGER2 P43116 1/20 0.47
▸ ALOX15 P16050 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9381607 0.90 TDP1 (0.52) TDP1KDM4EMAPTTSHRPTGDR2
SCHEMBL20515862 0.86 TSHR (0.48) TDP1KDM4EMAPTTSHRALOX15
SCHEMBL9379478 0.84 KDM4E (0.46) TDP1KDM4EMAPTTSHRALOX15
SCHEMBL27325060 0.82 TDP1 (0.52) TDP1KDM4EMAPTTSHRPTGDR2
SCHEMBL9378807 0.81 ALOX15 (0.66) TDP1KDM4EMAPTPTGDR2ALOX15
SCHEMBL9379551 0.81 KCNH2 (0.55) KDM4EPTGDR2ALOX15ALDH1A1
SCHEMBL9383560 0.80 PTGDR2 (0.51) KDM4EPTGDR2
SCHEMBL9380227 0.80 TDP1 (0.46) TDP1KDM4EMAPTTSHRPTGDR2
SCHEMBL19579748 0.77 ALOX15 (0.49) MAPTTSHRALOX15
SCHEMBL9379799 0.77 PKM (0.50) TDP1KDM4EMAPTPTGDR2PTGDR

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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