SCHEMBL16101792

SCHEMBL16101792

OB(O)c1cnn(C2CCCOC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.35
ACHE P22303 3/20 0.35
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
NAMPT P43490 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
JAK1 P23458 3/20 0.33
JAK2 O60674 3/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
ROCK1 Q13464 1/20 0.32
RPS6KA2 Q15349 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
MPO P05164 1/20 0.31
PIM1 P11309 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
SCHEMBL23763044 0.91 LRRK2 (0.41) LRRK2NAMPTMKNK1MKNK2HCRTR1
SCHEMBL18706528 0.84 PIM1 (0.39) LRRK2ACHEPSMB8PSMB9MKNK1
SCHEMBL20916371 0.82 ACHE (0.44) LRRK2ACHEPSMB8PSMB9HCRTR1
SCHEMBL874829 0.82 ACHE (0.47) LRRK2ACHEPSMB8PSMB9HCRTR1
SCHEMBL16101793 0.81 LRRK2 (0.39) LRRK2ACHEPSMB8PSMB9MKNK1
SCHEMBL15703080 0.80 OGA (0.39) LRRK2ACHENAMPTMKNK1MKNK2
SCHEMBL22031498 0.79 ACHE (0.39) ACHEPSMB8PSMB9HCRTR1HCRTR2
SCHEMBL22585673 0.78 LRRK2 (0.40) LRRK2ACHEPSMB8PSMB9PIM1
SCHEMBL27120216 0.77 LRRK2 (0.34) LRRK2ACHENAMPTMKNK1MKNK2
SCHEMBL15652587 0.77 BMPR1A (0.37) LRRK2ACHENAMPTMKNK1MKNK2

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-2970211-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 WO disclosed