SCHEMBL11050898

SCHEMBL11050898

NCN1CCCCCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PER2 O15055 2/20 0.38
CDA P32320 2/20 0.37
CRY2 Q49AN0 1/20 0.35
FKBP5 Q13451 1/20 0.33
CRBN Q96SW2 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL17599205 0.91
SCHEMBL10512933 0.82
SCHEMBL21711068 0.82 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4EPOLBGAA
SCHEMBL8732854 0.77 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKDM4EPOLBGAA
SCHEMBL19291821 0.77 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EPOLBGAA
SCHEMBL1446337 0.75 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKDM4EPOLBALDH1A1
SCHEMBL28954131 0.73 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4EPOLBGAA
SCHEMBL1421683 0.72 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EPOLBALDH1A1
SCHEMBL8048986 0.71 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKDM4EPOLBALDH1A1
SCHEMBL21711067 0.71 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKDM4EALDH1A1HPGD

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
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 US disclosed