SCHEMBL16636644

SCHEMBL16636644

N#CC1CC1C(O)c1csc2nc(CCl)cc(=O)n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 6/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIN2A Q12879 4/20 0.34
GRIA2 P42262 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2C Q14957 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL16636607 0.68 L3MBTL1 (0.50) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL16636608 0.68 L3MBTL1 (0.50) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL16636596 0.67 L3MBTL1 (0.58) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL16636642 0.67 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL17975724 0.67 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL636234 0.66 L3MBTL1 (0.60) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL16636487 0.64 L3MBTL1 (0.58) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL10996879 0.64 ALDH1A1 (1.00) L3MBTL1ALDH1A1NPSR1POLBTP53
SCHEMBL637490 0.63 L3MBTL1 (0.56) L3MBTL1ALDH1A1NPSR1POLBAPEX1
SCHEMBL16636490 0.63 ALDH1A1 (0.53) L3MBTL1ALDH1A1NPSR1POLBAPEX1

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
EP-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed