SCHEMBL4764335

SCHEMBL4764335

COc1ccc(C=C2OC(=O)C3=CC=CCC23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.44
DYRK1B Q9Y463 4/20 0.44
CLK1 P49759 3/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PIM1 P11309 1/20 0.39
AKR1B1 P15121 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAOB P27338 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK2 Q92630 1/20 0.38
SERPINE1 P05121 1/20 0.38

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
SCHEMBL4764332 1.00 DYRK1A (0.44) DYRK1ADYRK1BCLK1MAPTLMNA
SCHEMBL13096210 0.71 NPC1 (0.41) DYRK1ADYRK1BCLK1MAPTCYP1A2
SCHEMBL9049778 0.66 DYRK1A (0.59) DYRK1ADYRK1BCLK1MAPTLMNA
SCHEMBL9049784 0.66 DYRK1A (0.59) DYRK1ADYRK1BCLK1MAPTLMNA
SCHEMBL6059814 0.61 DYRK1A (1.00) DYRK1ADYRK1BCLK1MAPTLMNA
SCHEMBL7005593 0.60 MAPT (0.63) DYRK1ADYRK1BCLK1MAPTLMNA
SCHEMBL2820798 0.60 KDM4E (0.69) LMNAALDH1A1SMN1; SMN2ACHECYP1A2
SCHEMBL2820796 0.60 KDM4E (0.69) LMNAALDH1A1SMN1; SMN2ACHECYP1A2
SCHEMBL27260229 0.60 DYRK1A (1.00) DYRK1ADYRK1BCLK1MAPTALDH1A1
SCHEMBL9566863 0.60 DYRK1A (1.00) DYRK1ADYRK1BCLK1MAPTALDH1A1

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-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed