SCHEMBL4755614

SCHEMBL4755614

N#Cc1c(C(Cl)(Cl)Cl)nsc1N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL444045 0.80 MEN1 (0.32) MEN1ALDH1A1MAPTNPY1RMAPK1
SCHEMBL4756834 0.80 HTT (0.36) MEN1ALDH1A1MAPTNPY1RMAPK1
SCHEMBL7151799 0.72
SCHEMBL11765884 0.72 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL5153626 0.72
SCHEMBL10687515 0.70 ALDH1A1 (0.35) MEN1ALDH1A1MAPTNPY1RMAPK1
SCHEMBL164493 0.68
SCHEMBL14293144 0.68
SCHEMBL11746174 0.64 ALDH1A1 (0.43) MEN1ALDH1A1MAPTMAPK1HTT
SCHEMBL8441639 0.64 HTT (0.34) MEN1ALDH1A1MAPTNPY1RMAPK1

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
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed