SCHEMBL9642486

SCHEMBL9642486

COC(=O)c1cc(C(=O)O)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PLA2G2A P14555 4/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ CDK2 P24941 3/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SORT1 Q99523 1/20 0.41

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
SCHEMBL28608277 0.90 CFTR (0.51) CFTRPLA2G2ADHODHCDK2KDM4E
SCHEMBL28496945 0.86 KDM4E (0.49) DHODHCDK2KDM4EALDH1A1SORT1
SCHEMBL30120650 0.86 KDM4E (0.49) DHODHCDK2KDM4EALDH1A1SORT1
SCHEMBL28131200 0.81 L3MBTL1 (0.50) L3MBTL1PLA2G2ANQO2KDM4EMAPT
SCHEMBL19579754 0.80 CFTR (0.49) CFTRL3MBTL1DHODHCDK2KDM4E
SCHEMBL28840836 0.80 L3MBTL1 (0.71) L3MBTL1PLA2G2ADHODHNQO2KDM4E
SCHEMBL28131095 0.80 PLA2G2A (0.62) L3MBTL1PLA2G2ADHODHNQO2KDM4E
SCHEMBL28130383 0.80 PLA2G2A (0.67) L3MBTL1PLA2G2ANQO2KDM4EALOX15
SCHEMBL22492480 0.78 CFTR (0.54) CFTRCDK2KDM4ESORT1
SCHEMBL5396165 0.77 KDM4E (0.68) L3MBTL1PLA2G2ADHODHKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106380446-B Synthesis method of quinoline-2 formate derivative 南阳师范学院 2021-06-18 — — CN 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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