SCHEMBL9876908

SCHEMBL9876908

CCOC(=O)CCn1nc(-c2ccc(OCCCN(C)C)cc2)c2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
LTA4H P09960 3/20 0.43
FAAH O00519 1/20 0.42
GSK3B P49841 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LSS P48449 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Fumaric Acid SCHEMBL9237366 0.91 MAPT (0.42) ALDH1A1MAPTLTA4HFAAHGSK3B
Fumaric Acid SCHEMBL9237361 0.91 MAPT (0.42) ALDH1A1MAPTLTA4HFAAHGSK3B
SCHEMBL9876979 0.91 GAA (0.48) ALDH1A1MAPTLTA4HFAAHGSK3B
SCHEMBL9876891 0.89 LSS (0.44) ALDH1A1LTA4HGSK3BLSSKDM4E
Maleic Acid SCHEMBL9236897 0.86 GAA (0.46) ALDH1A1MAPTLTA4HFAAHGAA
Fumaric Acid SCHEMBL9236902 0.86 GAA (0.46) ALDH1A1MAPTLTA4HFAAHGAA
SCHEMBL9876682 0.86 GSK3B (0.43) ALDH1A1GSK3BLSSKDM4EHRH3
SCHEMBL9876736 0.86 GAA (0.49) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9234490 0.85 GSK3B (0.50) ALDH1A1GSK3BLSSKDM4ESMN1; SMN2
SCHEMBL9237569 0.85 GSK3B (0.42) ALDH1A1LTA4HFAAHGSK3BGAA

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-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed