SCHEMBL5792900

SCHEMBL5792900

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

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.78
ALDH1A1 P00352 2/20 0.73
GAA P10253 1/20 0.73
EPRS1 P07814 4/20 0.71
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
PLA2G2A P14555 1/20 0.60
PTGES O14684 1/20 0.58
ALOX5 P09917 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
CASP7 P55210 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL9788828 0.91 DHODH (0.86) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL26073753 0.90 DHODH (0.89) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL117430 0.88 EPRS1 (0.79) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL3232504 0.87 DHODH (0.80) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL1903454 0.87 DHODH (0.94) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL26073763 0.86 DHODH (0.78) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL23590306 0.86 DHODH (0.82) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL31490621 0.86 DHODH (0.73) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL31490624 0.86 DHODH (0.78) DHODHALDH1A1GAAEPRS1MEN1
SCHEMBL6186359 0.86 DHODH (0.85) DHODHALDH1A1GAAMEN1KMT2A

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