SCHEMBL5792945

SCHEMBL5792945

COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 7/20 0.78
▸ DHODH Q02127 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ EPRS1 P07814 2/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL28475970 0.88 PLA2G2A (0.78) PLA2G2ADHODHALDH1A1GAATP53
SCHEMBL5792900 0.86 DHODH (0.78) PLA2G2ADHODHALDH1A1GAAEPRS1
SCHEMBL26074099 0.86 PLA2G2A (0.75) PLA2G2ADHODHALDH1A1GAAMEN1
SCHEMBL27938966 0.85 PLA2G2A (0.78) PLA2G2ADHODHALDH1A1L3MBTL1TP53
SCHEMBL15919505 0.85 EPRS1 (0.75) PLA2G2ADHODHALDH1A1GAAL3MBTL1
SCHEMBL1901514 0.84 PLA2G2A (0.73) PLA2G2ADHODHALDH1A1GAAL3MBTL1
SCHEMBL28693800 0.81 KDM4E (0.72) PLA2G2ADHODHALDH1A1GAAL3MBTL1
SCHEMBL15905538 0.81 PLA2G2A (0.56) PLA2G2ADHODHALDH1A1L3MBTL1TP53
SCHEMBL26074102 0.79 PLA2G2A (0.64) PLA2G2ADHODHALDH1A1GAAL3MBTL1
SCHEMBL26074118 0.79 PLA2G2A (0.64) PLA2G2ADHODHALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006034491-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 — — WO disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 — — WO disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 — — WO disclosed
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