SCHEMBL8663350

SCHEMBL8663350

COC(=O)C(CC#N)c1ccc(OC)c2c1nc(C1CCCC1)n2C

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 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.34
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
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TSHR P16473 1/20 0.31
ACACB O00763 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F2 P00734 1/20 0.31
NPC1 O15118 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
SCHEMBL8633900 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8629599 0.76 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1553952 0.74 PDE4D (0.67) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1553629 0.73 PDE4D (0.65) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8605672 0.72 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8573926 0.72 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPOLB
Hydrochloric Acid SCHEMBL8573929 0.72 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1553951 0.70 PDE4D (0.67) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8633910 0.70 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1554931 0.69 PDE4D (0.65) PDE4APDE4BPDE4CPDE4DPOLB

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