SCHEMBL6526531

SCHEMBL6526531

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1ccc([N+](=O)[O-])cc12.COc1ccc(C(=O)Nc2ccncc2)c2c1oc1ccc([N+](=O)[O-])cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.55
PDE4B Q07343 12/20 0.55
PDE4A P27815 11/20 0.55
PDE4C Q08493 11/20 0.55
PPARG P37231 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARA Q07869 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
PTGS2 P35354 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4033314 0.94 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CPTGS2
SCHEMBL4036023 0.92 PDE4A (0.57) PDE4DPDE4BPDE4APDE4CPPARG
SCHEMBL4755347 0.84 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CPPARG
SCHEMBL4032324 0.84 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CPPARG
SCHEMBL4033553 0.83 SMN1; SMN2 (0.56) PDE4DPDE4BPDE4APDE4CMAPK1
SCHEMBL4028222 0.83 MEN1 (0.53) PPARGCYP3A4MAPK1SMN1; SMN2POLB
SCHEMBL5023283 0.82 PDE4D (0.63) PDE4DPDE4BPDE4APDE4C
SCHEMBL4030900 0.82 KMT2A (0.57) SMN1; SMN2POLBPTGS2
SCHEMBL14364604 0.82 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CPPARG
SCHEMBL5023369 0.82 PDE4D (0.66) PDE4DPDE4BPDE4APDE4C

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-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP claimed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO claimed