SCHEMBL23564729

SCHEMBL23564729

O=c1[nH]ncn1-c1cnn(CC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ ROCK1 Q13464 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ PIK3CG P48736 5/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CTSD P07339 2/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ BACE2 Q9Y5Z0 2/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ MAT2A P31153 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL23564961 0.72 HTT (0.42) HTTROCK1GPR119
SCHEMBL7684177 0.71 HTT (0.46) HTTCMA1TDP1GPR119
SCHEMBL8721237 0.68 HTT (0.39) HTT
SCHEMBL9232299 0.67 HTT (0.54) HTTCMA1TDP1GPR119
SCHEMBL31743952 0.66 AURKA (0.44) LRRK2JAK2MAT2A
SCHEMBL13275224 0.65 LRRK2 (0.33) ROCK1LRRK2PIK3CGPRKDCMAT2A
SCHEMBL8718617 0.64 HTT (0.54) HTTCMA1TDP1GPR119
SCHEMBL2148413 0.64 L3MBTL1 (0.57) ROCK1
SCHEMBL3518937 0.63 HTT (0.62) HTTTDP1GPR119
SCHEMBL612940 0.63 SMN1; SMN2 (0.50) HTTCTSDBACE1BACE2

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
WO-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
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