SCHEMBL4973147

SCHEMBL4973147

Clc1nc(Cl)c(Cl)c(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CTSK P43235 2/20 0.38
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL2337541 0.83 SMN1; SMN2 (0.44) SMN1; SMN2POLBALDH1A1MAPTL3MBTL1
SCHEMBL13828583 0.83 SMN1; SMN2 (0.48) SMN1; SMN2POLBNPSR1ALDH1A1MAPT
SCHEMBL7930954 0.82 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1MAPTL3MBTL1
SCHEMBL20154109 0.81 NPSR1 (0.49) SMN1; SMN2POLBNPSR1ALDH1A1MAPT
SCHEMBL2148684 0.79 MTOR (0.51) SMN1; SMN2
SCHEMBL14849909 0.79 SMN1; SMN2 (0.42) SMN1; SMN2POLBALDH1A1MAPTL3MBTL1
SCHEMBL12068673 0.79 SMN1; SMN2 (0.42) SMN1; SMN2POLBALDH1A1MAPTL3MBTL1
SCHEMBL12463160 0.79 SMN1; SMN2 (0.58) SMN1; SMN2POLBALDH1A1MAPTL3MBTL1
SCHEMBL10706029 0.77 PDE4A (0.43) SMN1; SMN2POLBALDH1A1MAPTL3MBTL1
SCHEMBL932547 0.77 ALDH1A1 (0.52) SMN1; SMN2NPSR1ALDH1A1MAPTCYP1A2

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-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed