SCHEMBL9876979

SCHEMBL9876979

CCOC(=O)Cn1nc(-c2ccc(OCCCN(C)C)cc2)c2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LSS P48449 1/20 0.40
LTA4H P09960 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
FAAH O00519 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL9876736 0.95 GAA (0.49) GAAMAPTPOLBNPSR1L3MBTL1
Maleic Acid SCHEMBL9236897 0.95 GAA (0.46) GAAMAPTPOLBNPSR1L3MBTL1
Fumaric Acid SCHEMBL9236902 0.95 GAA (0.46) GAAMAPTPOLBNPSR1L3MBTL1
SCHEMBL9876908 0.91 ALDH1A1 (0.51) GAAMAPTPOLBNPSR1L3MBTL1
Fumaric Acid SCHEMBL9236905 0.90 GAA (0.47) GAAMAPTPOLBNPSR1L3MBTL1
Maleic Acid SCHEMBL9236899 0.90 GAA (0.47) GAAMAPTPOLBNPSR1L3MBTL1
SCHEMBL9877732 0.89 ALDH1A1 (0.53) NPSR1ALDH1A1HPGDKDM4ELSS
SCHEMBL9877123 0.89 LSS (0.42) GAAMAPTPOLBMEN1KMT2A
SCHEMBL9876697 0.88 LSS (0.43) ALDH1A1HPGDKDM4ELSSLTA4H
SCHEMBL9234584 0.88 LSS (0.46) ALDH1A1HPGDKDM4ELSSLTA4H

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
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed