SCHEMBL4750685

SCHEMBL4750685

O=c1c2cc3ccccc3nc2nc(CCCBr)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.56
PDE4B Q07343 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
TLR8 Q9NR97 4/20 0.41
TLR7 Q9NYK1 3/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL4092061 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6213946 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5561428 0.80 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7069119 0.76 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5144835 0.75 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5787691 0.75 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5555306 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4101714 0.74 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5739015 0.72 PDE4B (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13981738 0.72 PDE4A (0.44) 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-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed