SCHEMBL14468223

SCHEMBL14468223

C1=CC(Sc2ccccc2CNc2nc(NC3CCCC3)c3ccccc3n2)=CCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.46
▸ MERTK Q12866 6/20 0.45
▸ APP P05067 2/20 0.43
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ PDE5A O76074 2/20 0.43
▸ ACP1 P24666 2/20 0.43
▸ OGG1 O15527 1/20 0.43
▸ TLR7 Q9NYK1 2/20 0.42
▸ GBA1 P04062 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ WHR1 P49842 1/20 0.39

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
SCHEMBL14256546 0.85 MERTK (0.51) CXCR4MERTKAPPBCHEACHE
SCHEMBL14256444 0.84 MERTK (0.53) CXCR4MERTKAPPBCHEACHE
SCHEMBL14256699 0.83 MERTK (0.52) CXCR4MERTKAPPBCHEACHE
SCHEMBL14256451 0.83 MERTK (0.52) CXCR4MERTKAPPBCHEACHE
SCHEMBL14256450 0.81 MERTK (0.52) CXCR4MERTKAPPBCHEACHE
SCHEMBL14468227 0.78 MERTK (0.50) CXCR4MERTKAPPBCHEACHE
SCHEMBL27224041 0.76 MERTK (0.61) CXCR4MERTKAPPBCHEACHE
SCHEMBL14256540 0.76 MERTK (0.55) CXCR4MERTKAPPBCHEACHE
SCHEMBL14266722 0.76 MERTK (0.55) CXCR4MERTKAPPBCHEACHE
SCHEMBL14256454 0.76 MERTK (0.46) CXCR4MERTKAPPBCHEACHE

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-2007081978-A2 MODULATORS OF HEPATOCYTE GROWTH FACTOR / C-MET ACTIVITY ANGION BIOMEDICA CORPORATION (US) 2007-07-19 — — WO disclosed
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