SCHEMBL4574332

SCHEMBL4574332

COC(=O)c1ccc(OC(F)F)c2oc3ccnc(O)c3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.41
PDE4D Q08499 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NR1I2 O75469 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 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
SCHEMBL73653 0.88 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL72180 0.87 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL8180654 0.81 KDM4E (0.35) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL73108 0.81 PDE5A (0.39) PDE4BPDE4DPDE4APDE4C
SCHEMBL73968 0.81 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL73967 0.77 PDE4B (0.42) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL73650 0.74 PDE4A (0.46) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL4574337 0.72 PDE4D (0.38) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL4574938 0.71 MEN1 (0.38) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL73465 0.70 KDM4E (0.42) PDE4BPDE4DPDE4APDE4CGAA

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
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed