SCHEMBL8634009

SCHEMBL8634009

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ENPP1 P22413 1/20 0.30

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 0.87 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8571350 0.84 ANPEP (0.34) PDE4AMAOBADORA2A
SCHEMBL8574221 0.82 TNKS (0.42) HPGDMEN1MAPTKMT2ANPSR1
SCHEMBL8568221 0.82 ALOX5AP (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8629585 0.82 GAA (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8628572 0.81 SMN1; SMN2 (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8572616 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL8629599 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2525079 0.80 LMNA (0.36) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8627255 0.80 SMN1; SMN2 (0.41) PDE4APDE4BPDE4CPDE4DKDM4E

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