SCHEMBL4755347

SCHEMBL4755347

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2oc3ccc([N+](=O)[O-])cc3c12.O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c2oc3ccc([N+](=O)[O-])cc3c12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.69
PDE4B Q07343 15/20 0.53
PDE4A P27815 13/20 0.47
PDE4C Q08493 12/20 0.47
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CCR6 P51684 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCB11 O95342 1/20 0.42
PPARG P37231 1/20 0.39
PDE11A Q9HCR9 1/20 0.39

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
SCHEMBL4032324 1.00 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL14457761 0.91 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL4033314 0.89 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CPDE11A
SCHEMBL4026556 0.86 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL14364604 0.85 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL5017953 0.84 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5017912 0.84 PDE4B (0.71) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5018033 0.84 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4030622 0.84 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL6526531 0.84 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CSMN1; SMN2

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
WO-2008005955-A9 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LAB HOLDINGS LTD 2008-04-03 WO disclosed
WO-2008005955-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed