SCHEMBL9379647

SCHEMBL9379647

N#Cc1cccc2nc(C(=O)O)cc(OCC(=O)O)c12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.42
▸ PTGDR2 Q9Y5Y4 5/20 0.41
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ EIF4EBP1 Q13541 2/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL9379821 0.81 KMT2A (0.48) ALOX15PTGDR2HPGDKDM4EALDH1A1
SCHEMBL9380685 0.79 ALDH1A1 (0.45) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL9378807 0.76 ALOX15 (0.66) ALOX15PTGDR2HPGDKDM4EALDH1A1
SCHEMBL9380227 0.74 TDP1 (0.46) ALOX15PTGDR2HPGDKDM4EALDH1A1
SCHEMBL29567556 0.72 TDP1 (0.49) ALOX15PTGDR2KDM4ETDP1KMT2A
SCHEMBL1611157 0.72 TDP1 (0.49) ALOX15PTGDR2KDM4ETDP1KMT2A
SCHEMBL1279945 0.71 SMN1; SMN2 (0.63) PTGDR2HPGDKDM4EALDH1A1TDP1
SCHEMBL9379284 0.69 PKM (0.40) ALOX15PTGDR2HPGDKDM4EALDH1A1
SCHEMBL9386270 0.68 MMP13 (0.44) HPGDKDM4EALDH1A1HSD17B10TDP1
SCHEMBL9378776 0.68 TDP1 (0.54) ALOX15PTGDR2KDM4EALDH1A1TDP1

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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