SCHEMBL8633900

SCHEMBL8633900

COC(=O)C(CC#N)c1ccc(OC)c2nc(C3CCCC3)n(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
POLB P06746 4/20 0.35
ALDH1A1 P00352 4/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CTSB P07858 3/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 3/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM4 P08173 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8663350 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8629599 0.78 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1553951 0.74 PDE4D (0.67) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8633910 0.74 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1554931 0.73 PDE4D (0.65) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8575491 0.72 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8575498 0.72 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPOLB
Hydrochloric Acid SCHEMBL8575508 0.72 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1553952 0.70 PDE4D (0.67) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8633509 0.70 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1

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