SCHEMBL5099543

SCHEMBL5099543

OCCNc1ncnc(N2CCCC2)c1NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
HTT P42858 1/20 0.46
PKM P14618 3/20 0.45
POLB P06746 1/20 0.45
HUWE1 Q7Z6Z7 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL5026869 0.77 LMNA (0.48) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL5025315 0.77 HUWE1 (0.49) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL5139485 0.75 SLC29A1 (0.46) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL5093812 0.75 SLC29A1 (0.46) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL5027000 0.74 HUWE1 (0.44) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL5025268 0.72 SLC29A1 (0.43) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11046408 0.71 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11026278 0.71 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL11049491 0.70 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL23891951 0.70 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DHUWE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed