SCHEMBL8629599

SCHEMBL8629599

COC(=O)C(CC#N)c1ccc(OC)c2nc(C3CCCC3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 3/20 0.36
PBK Q96KB5 5/20 0.35
PDE2A O00408 2/20 0.34
GSK3B P49841 1/20 0.33
ADORA2A P29274 2/20 0.32
CHRM4 P08173 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8633509 0.83 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8634009 0.81 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8568221 0.80 ALOX5AP (0.35) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8574221 0.78 TNKS (0.42) ADORA3ADORA1PDE2AGSK3BADORA2A
SCHEMBL8629601 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL8633900 0.78 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCHRM4
SCHEMBL8572616 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2525079 0.76 LMNA (0.36) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8629585 0.76 GAA (0.38) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL8627255 0.76 SMN1; SMN2 (0.41) PDE4APDE4BPDE4CPDE4DADORA2A

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed