SCHEMBL2889399

SCHEMBL2889399

COc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(F)F

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.64
PDE4B Q07343 5/20 0.64
PDE4A P27815 4/20 0.64
PDE4C Q08493 4/20 0.64
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
ABCB11 O95342 1/20 0.54
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.51

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
SCHEMBL2882309 0.95 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL2889838 0.93 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL30084822 0.93 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL7534706 0.88 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL30084836 0.88 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL2887510 0.86 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL2887769 0.86 PDE4D (0.63) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL7535380 0.83 MAPT (0.61) PDE4DPDE4BPDE4APDE4CNPC1
SCHEMBL30084831 0.83 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7371319 0.83 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed
CN-115397411-A Pharmaceutical combination and use thereof 浙江养生堂天然药物研究所有限公司 2022-11-25 CN disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed