SCHEMBL4622162

SCHEMBL4622162

COC(=O)Oc1cc(OCC(C)CCl)c2cc(F)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
PLA2G2A P14555 4/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 3/20 0.36
PRNP P04156 1/20 0.36
GAA P10253 2/20 0.35
DHODH Q02127 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL4621100 0.86 KDM4E (0.43) CASP3PLA2G2AKDM4EHSD17B10IDO1
SCHEMBL4621102 0.84 PLA2G2A (0.42) CASP3PLA2G2AKDM4EHSD17B10IDO1
SCHEMBL4648307 0.82 IDO1 (0.41) IDO1GAADHODHMEN1HPGD
SCHEMBL4621639 0.73 PDE10A (0.47) CASP3KDM4EIDO1PRNPGAA
SCHEMBL4621105 0.72 GAA (0.40) CASP3KDM4EHSD17B10PRNPGAA
SCHEMBL14255182 0.72 PLA2G2A (0.41) CASP3PLA2G2AKDM4EHSD17B10IDO1
SCHEMBL4622564 0.69 KDM4E (0.37) CASP3PLA2G2AKDM4EHSD17B10IDO1
SCHEMBL5093369 0.68 PLA2G2A (0.45) CASP3PLA2G2AKDM4EHSD17B10IDO1
SCHEMBL4621671 0.68 PLA2G2A (0.45) CASP3PLA2G2AKDM4EHSD17B10IDO1
SCHEMBL4621944 0.67 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2C19PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696924-B1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GMBH (DE) 2008-03-26 EP claimed