SCHEMBL5093345

SCHEMBL5093345

COC(=O)c1cc(OCC(N)=O)c2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.45
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GRM2 Q14416 1/20 0.40
DPP4 P27487 2/20 0.40
CASP3 P42574 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRNP P04156 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 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
SCHEMBL5090570 0.88 KDM4E (0.44) DHODHKDM4EGRM2DPP4PDE10A
SCHEMBL4620316 0.86 PLA2G2A (0.47) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5093348 0.86 PKM (0.44) PLA2G2ADHODHKDM4EPRNPSMN1; SMN2
SCHEMBL5090548 0.86 PLA2G2A (0.43) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5088547 0.85 PLA2G2A (0.47) PLA2G2ADHODHKDM4EPRNPSMN1; SMN2
SCHEMBL5097655 0.84 MAPT (0.46) PLA2G2ASMN1; SMN2
SCHEMBL5098641 0.84 PLA2G2A (0.43) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5097651 0.84 PLA2G2A (0.53) PLA2G2ADHODHKDM4EPRNPSMN1; SMN2
SCHEMBL4621671 0.83 PLA2G2A (0.45) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5093369 0.83 PLA2G2A (0.45) PLA2G2ADHODHKDM4ECASP3HSD17B10

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
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed