SCHEMBL16795141

SCHEMBL16795141

Oc1cc(Cl)cc(CN2CCC(NC3CCCC3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.51
SIGMAR1 Q99720 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACHE P22303 3/20 0.42
BACE1 P56817 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 2/20 0.41
TEAD1 P28347 1/20 0.40
SLC6A12 P48065 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
SCHEMBL16795223 0.81 SIGMAR1 (0.56) SIGMAR1MEN1KMT2ATEAD1SLC6A12
SCHEMBL16795119 0.80 L3MBTL1 (0.46) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL16795145 0.79 L3MBTL1 (0.51) L3MBTL1
SCHEMBL16795229 0.74 CXCR3 (0.36) CXCR3SIGMAR1ACHEBACE1BCHE
SCHEMBL8408423 0.74 ACHE (0.66) CXCR3SIGMAR1MEN1KMT2AACHE
SCHEMBL7424698 0.73 ACHE (0.64) CXCR3SIGMAR1MEN1KMT2AACHE
SCHEMBL8805002 0.73 ACHE (0.64) CXCR3SIGMAR1MEN1KMT2AACHE
SCHEMBL13202834 0.73 L3MBTL1 (0.53) CXCR3SIGMAR1MEN1KMT2AACHE
SCHEMBL16795154 0.73 POLB (0.56) MEN1KMT2A
SCHEMBL14981031 0.71 L3MBTL1 (0.58) SIGMAR1MEN1KMT2AACHEL3MBTL1

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed