SCHEMBL2486304

SCHEMBL2486304

O=C1NCC(c2cc(OCc3ccccc3F)ncn2)=C1CO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.36
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
MAOB P27338 4/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN3A Q9NY46 3/20 0.34
EGFR P00533 2/20 0.34
KCNH2 Q12809 3/20 0.34
HPD P32754 1/20 0.34
PARP14 Q460N5 1/20 0.33
PDE4A P27815 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL754930 0.73 GPR84 (0.38) GPR84PARP15PARP10MAOBKCNH2
SCHEMBL752324 0.71 GPR84 (0.37) GPR84MAOBSCN3AKCNH2HPD
SCHEMBL2487611 0.70 JAK2 (0.46) MAOB
SCHEMBL2488805 0.64 ALKBH1 (0.42)
SCHEMBL12420849 0.62 KDM5A (0.62) PARP15PARP10MAOBHDAC6PARP14
SCHEMBL10314927 0.62 GRM5 (0.65) GPR84MAOBKCNH2PDE4A
SCHEMBL4677019 0.60 MAOB (0.48) PARP15PARP10MAOBSCN3APARP14
SCHEMBL30973177 0.60 GRM2 (0.47) PARP15PARP10MAOBEGFR
SCHEMBL13806483 0.60 KDM5A (0.47) PARP15PARP10MAOBHDAC6PARP14
SCHEMBL2014419 0.59 GRM5 (0.53) GPR84PARP15PARP10MAOB

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
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed