SCHEMBL5097600

SCHEMBL5097600

O=C(O)c1cc(OCCCl)c2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PDE10A Q9Y233 2/20 0.40
IDO1 P14902 3/20 0.40
DHODH Q02127 5/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL4649127 0.95 ALOX15 (0.42) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL5703854 0.92 KDM4E (0.39) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL5093369 0.88 PLA2G2A (0.45) PDE10AIDO1DHODHKDM4EHSD17B10
SCHEMBL5097666 0.86 PPARA (0.42) ALOX15ALDH1A1DHODHNR1H4
SCHEMBL5088569 0.85 DHODH (0.45) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL4620763 0.84 PDE10A (0.52) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL14255061 0.84 KDM4E (0.38) ALDH1A1PDE10AIDO1DHODHKDM4E
SCHEMBL5090505 0.84 PLA2G2A (0.48) ALOX15ALDH1A1PDE10ADHODH
SCHEMBL5098762 0.84 KDM4E (0.43) ALOX15ALDH1A1DHODHKDM4E
SCHEMBL5088654 0.83 CYSLTR1 (0.45) DHODHNR1H4

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