SCHEMBL4429996

SCHEMBL4429996

OC(c1cc2c(cn1)OCC2)C(O)c1cc2ccoc2cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.32
PRKCI P41743 1/20 0.31
USP9X Q93008 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL3859331 0.78 DYRK1A (0.32) DYRK1APRKCIHTR3EHTR3BCHRNA7
SCHEMBL18527086 0.73 DYRK1A (0.39) DYRK1APRKCIHDAC3HDAC4HDAC1
SCHEMBL6663193 0.72 OGA (0.36) DYRK1APRKCIHDAC3HDAC4HDAC1
SCHEMBL4670935 0.70 HTR1B (0.38) DYRK1AHTR3EHTR3BCHRNA7HTR3A
SCHEMBL104574 0.70 HTR1B (0.38) DYRK1AHTR3EHTR3BCHRNA7HTR3A
SCHEMBL4671711 0.70 HTR1B (0.38) DYRK1AHTR3EHTR3BCHRNA7HTR3A
SCHEMBL12526762 0.69 OGA (0.37) DYRK1APRKCIHDAC3HDAC4HDAC1
SCHEMBL6667806 0.68 OGA (0.36) DYRK1APRKCIHDAC3HDAC4HDAC1
SCHEMBL6670562 0.68 HTR1B (0.36) DYRK1AHTR3EHTR3BCHRNA7HTR3A
SCHEMBL12749946 0.67 HTR1B (0.38) DYRK1AHTR3EHTR3BCHRNA7HTR3A

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-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed