SCHEMBL4952115

SCHEMBL4952115

Cn1c([AsH]O)nc2c3cccnc3ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL12068237 0.79 PDE10A (0.54) PDE10ALMNAMAPTKDM4ECYP3A4
SCHEMBL83775 0.78 PDE10A (0.48) PDE10ALMNAMAPTKDM4ECYP3A4
SCHEMBL605923 0.78 PDE10A (0.50) PDE10ALMNAMAPTKDM4ECYP3A4
SCHEMBL10309409 0.77 PDE10A (0.59) PDE10ALMNAMAPTKDM4ECYP3A4
Ammonia Solution, Strong SCHEMBL17583545 0.77 PDE10A (0.49) PDE10ALMNAMAPTKDM4ECYP3A4
SCHEMBL10345238 0.77 PDE10A (0.72) PDE10ALMNAMAPTKDM4ETLR7
SCHEMBL15033539 0.75 PDE10A (0.48) PDE10ALMNAMAPTKDM4ECYP3A4
Bromide SCHEMBL13822734 0.75 PDE10A (0.48) PDE10ALMNAMAPTKDM4ECYP3A4
SCHEMBL10277184 0.74 PDE10A (0.50) PDE10ALMNAMAPTKDM4ECYP3A4
SCHEMBL17237846 0.73 PDE10A (0.66) PDE10ALMNAMAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed