SCHEMBL8324668

SCHEMBL8324668

COc1ccc(C(=O)Nc2ccncc2)c2c3c(oc12)CCCC3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.59
PDE4B Q07343 5/20 0.59
PDE4C Q08493 5/20 0.59
PDE4D Q08499 5/20 0.59
KCNMA1 Q12791 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 2/20 0.47
JAK2 O60674 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8318940 0.99 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL8327236 0.87 MAPT (0.47) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL8324421 0.86 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL8324954 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL8327267 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL8325303 0.82 PDE4D (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL8319816 0.81 PDE4D (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL8326127 0.78 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8319163 0.78 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL8323865 0.77 KCNMA1 (0.48) PDE4APDE4BPDE4CPDE4DKCNMA1

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-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed