SCHEMBL2485849

SCHEMBL2485849

O=C1CNCNCCNCCNC(=O)C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
HDAC8 Q9BY41 2/20 0.38
TACR2 P21452 4/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GLA P06280 1/20 0.35
CTSD P07339 4/20 0.34
EP300 Q09472 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL576797 0.85 GBA1 (0.50) GBA1HDAC8TACR2DDB1CRBN
SCHEMBL577053 0.85 GBA1 (0.50) GBA1HDAC8TACR2DDB1CRBN
SCHEMBL577564 0.85 GBA1 (0.50) GBA1HDAC8TACR2DDB1CRBN
SCHEMBL577288 0.81 GBA1 (0.46) GBA1HDAC8TACR2DDB1CRBN
SCHEMBL25001178 0.80 HDAC8 (0.47) GBA1HDAC8DDB1CRBNEP300
SCHEMBL575811 0.78 GBA1 (0.46) GBA1TACR2DDB1CRBNCTSD
SCHEMBL577179 0.76 GBA1 (0.47) GBA1HDAC8TACR2DDB1CRBN
SCHEMBL7490798 0.72 CXCR4 (0.39) GBA1CTSDGSK3B
SCHEMBL10374632 0.70 MLNR (0.42) CTSD
SCHEMBL8515554 0.68 GBA1 (0.53) GBA1HDAC8DDB1CRBN

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-2378602-A2 Nonaqueous electrolyte for recherable battery, and recharchable battery with nonaqueous electrolyte Mitsubishi Chemical Corporation (JP) 2011-10-19 EP disclosed