SCHEMBL8923739

SCHEMBL8923739

CN(C)c1[c]ccnc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
MYC P01106 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL2519472 0.72 KDM4E (0.41) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL4413036 0.72 KDM4E (0.41) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL8924724 0.72 KDM4E (0.41) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL8924999 0.71 KDM4E (0.46) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL3514467 0.70
SCHEMBL2068646 0.70
SCHEMBL3716284 0.67 KDM5A (0.31)
SCHEMBL69939 0.65 KDM4E (0.54) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL25779271 0.64 KDM4E (0.43) KDM4EALDH1A1MAPTALOX15TSHR
SCHEMBL6198008 0.64 KDM4E (0.36) KDM4EL3MBTL1MYCHPGDKMT2A

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-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed