SCHEMBL8301459

SCHEMBL8301459

COc1ccc(C(=O)C(=O)Nc2ccncc2)c2c1oc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.53
PDE4A P27815 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.44
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
JAK2 O60674 1/20 0.41
KCNMA1 Q12791 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL5023240 0.89 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3995780 0.89 KMT2A (0.46) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL8301499 0.89 NPC1 (0.46) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL8298298 0.87 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL8298275 0.84 CYP19A1 (0.47) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL8298189 0.82 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL14161809 0.79 LMNA (0.42) LMNAMAPK1HTTMAPTPTGS2
SCHEMBL5016460 0.79 LMNA (0.51) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL8302112 0.78 NPC1 (0.46) MAPK1MAPTSMN1; SMN2POLBCYP19A1
SCHEMBL14364592 0.78 RXFP1 (0.54) PDE4BPDE4APDE4CPDE4DLMNA

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-2004111044-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS:PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-12-23 WO disclosed