SCHEMBL14745816

SCHEMBL14745816

CCc1cc(C(=O)Oc2c(CC)c(-c3ccc(Br)cc3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc(I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
PRNP P04156 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14745499 0.92 PDE3B (0.43) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14745239 0.84 PDE3B (0.43) PDE3BPDE3ARXFP1PARP1PARP3
SCHEMBL14745815 0.83 PDE3B (0.41) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14745820 0.81 SMN1; SMN2 (0.38) PDE3BPDE3ARXFP1MAPTALDH1A1
SCHEMBL14741243 0.77 PDE3B (0.50) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14741070 0.76 PDE3B (0.50) PDE3BPDE3APARP1PARP2PARP3
SCHEMBL14741107 0.75 KDM4E (0.41) PDE3BPDE3ARXFP1ALDH1A1
SCHEMBL14745498 0.75 PDE3B (0.41) PDE3BPDE3APRNPCYP1A2CYP2C9
SCHEMBL14745764 0.73 SERPINE1 (0.31) PPARG
SCHEMBL14745775 0.73 CDC7 (0.31) PDE3BPDE3A

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