SCHEMBL4784568

SCHEMBL4784568

CCOC(=O)c1nc(C)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA3 P0DMS8 7/20 0.46
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4236039 0.82 KMT2A (0.44) KMT2AHTTL3MBTL1ADORA3ADORA2A
SCHEMBL10689456 0.82 KMT2A (0.44) KMT2AHTTL3MBTL1ADORA3ADORA2A
SCHEMBL6855288 0.81 KMT2A (0.54) KMT2AHTTL3MBTL1ADORA3ADORA2A
SCHEMBL14186810 0.81 NPSR1 (0.41) KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL6826099 0.80 ADORA2A (0.43) KMT2AHTTL3MBTL1ADORA3ADORA2A
SCHEMBL29067639 0.78 KMT2A (0.42) KMT2AHTTL3MBTL1ADORA3ADORA2A
SCHEMBL21037483 0.78 ALDH1A1 (0.52) KMT2AL3MBTL1ADORA3ADORA2AALDH1A1
SCHEMBL352579 0.75 CYP1A2 (0.54) KMT2AHTTCYP1A2ALDH1A1ESR1
SCHEMBL14163228 0.74 TDP1 (0.42) KMT2AHTTL3MBTL1ALDH1A1HPGD
SCHEMBL23130747 0.74 GABRA2 (0.54) KMT2AL3MBTL1ADORA3ADORA2AALDH1A1

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
WO-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 WO disclosed