SCHEMBL16100245

SCHEMBL16100245

CN(CCOC(N)=O)Cc1n[nH]c2ccc(OC3CCOCC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.38
▸ INSR P06213 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ GSK3B P49841 5/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PDE4D Q08499 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL16100558 0.95 LRRK2 (0.41) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16120042 0.82 LRRK2 (0.41) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16099650 0.81 LRRK2 (0.36) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16120036 0.77 LRRK2 (0.44) LRRK2INSRIGF1RALKNTRK1
SCHEMBL16102326 0.77 LRRK2 (0.40) LRRK2INSRIGF1RALKGSK3B
SCHEMBL17457579 0.76 GSK3B (0.37) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16102325 0.76 LRRK2 (0.39) LRRK2INSRIGF1RALKGSK3B
SCHEMBL17457580 0.74 GSK3B (0.35) LRRK2INSRIGF1RALKGSK3B
SCHEMBL16099736 0.74 HTR2A (0.34) MAPK1
SCHEMBL16129427 0.73 PRMT1 (0.47) LRRK2HRH3

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-2970220-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO disclosed
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