SCHEMBL4573803

SCHEMBL4573803

O=C(O)c1ccc(OC(F)F)c2oc3ccnc(-c4ccc([N+](=O)[O-])cc4)c3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
AURKA O14965 1/20 0.33
DAPK3 O43293 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
SCHEMBL73348 0.87 RAB9A (0.41) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL1301737 0.78 MAOA (0.43) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL73967 0.77 PDE4B (0.42) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL3881303 0.77 PDE4A (0.37) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL3869564 0.76 PTGS2 (0.38) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL3869561 0.76 PTGS2 (0.38) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL3872959 0.75 CMKLR1 (0.37) KMT2AMEN1MAPTRAB9AHTT
SCHEMBL3878942 0.74 EIF4A1 (0.33) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL15015993 0.74 MAPT (0.40) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL73037 0.71 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
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