SCHEMBL14745498

SCHEMBL14745498

CCc1c(-c2ccc(Cl)cc2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
DHODH Q02127 2/20 0.38
SERPINE1 P05121 1/20 0.36
MAPK14 Q16539 1/20 0.34
TSPO P30536 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
PRNP P04156 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL14745815 0.91 PDE3B (0.41) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14740959 0.85 SERPINE1 (0.47) DHODHSERPINE1MAPK14TSPOCYP1A2
SCHEMBL14740980 0.85 PDE3B (0.41) PDE3BPDE3ADHODHSERPINE1PRNP
SCHEMBL14745499 0.84 PDE3B (0.43) PDE3BPDE3ADHODHTSPOPRNP
SCHEMBL14741243 0.83 PDE3B (0.50) PDE3BPDE3AGAAPRNPCYP1A2
SCHEMBL14740827 0.83 MAPK14 (0.46) PDE3BPDE3ASERPINE1MAPK14GAA
SCHEMBL17595254 0.82 MEN1 (0.38) PDE3BPDE3AGAAPKMHIF1A
SCHEMBL14745238 0.82 SERPINE1 (0.42) PDE3BPDE3ADHODHSERPINE1GAA
SCHEMBL17594868 0.80 KIF11 (0.38) PDE3BPDE3ADHODHSERPINE1
SCHEMBL14745819 0.79 GSK3B (0.43) PDE3BPDE3ASERPINE1GAAPKM

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-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed