SCHEMBL4621639

SCHEMBL4621639

CCOc1cc(OC(=O)O)nc2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.47
TSHR P16473 1/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PRNP P04156 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.40
CASP3 P42574 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DHODH Q02127 1/20 0.39

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
SCHEMBL4622564 0.84 KDM4E (0.37) PDE10AHPGDALDH1A1PRNPIDO1
SCHEMBL4620763 0.81 PDE10A (0.52) PDE10ATSHRMEN1GAAHPGD
SCHEMBL4622456 0.80 ALDH1A1 (0.37) PDE10AGAAALDH1A1IDO1CASP3
SCHEMBL4621944 0.79 MEN1 (0.44) PDE10ATSHRMEN1KMT2AALDH1A1
SCHEMBL4620316 0.78 PLA2G2A (0.47) PDE10ATSHRCYP2C9IDO1CASP3
SCHEMBL11620577 0.76 NCF1 (0.51) PDE10AMEN1KMT2AALDH1A1
SCHEMBL4621100 0.76 KDM4E (0.43) PDE10AGAAPRNPIDO1CASP3
SCHEMBL4622162 0.73 CASP3 (0.39) PDE10ACYP2C9MEN1GAAHPGD
SCHEMBL30744772 0.72 ALOX15 (0.49) PDE10ATSHRKDM4E
SCHEMBL11101493 0.71 BACE1 (0.47) TSHRMEN1GAAHPGDKMT2A

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