SCHEMBL15568598

SCHEMBL15568598

CCOC(=O)c1nn(C)c(=O)c(N2CCOCC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
PIK3CA P42336 1/20 0.44
PKM P14618 1/20 0.43
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 3/20 0.42
HPGD P15428 3/20 0.42
AKT1 P31749 1/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 3/20 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
SCHEMBL15569514 0.78 ATM (0.38) ALDH1A1KDM4EL3MBTL1PKMMAPK1
SCHEMBL15568782 0.74 KDM4E (0.43) ALDH1A1KDM4EL3MBTL1HSD17B10HPGD
SCHEMBL15569610 0.73 ATM (0.37) ALDH1A1KDM4EL3MBTL1PIK3CAMEN1
SCHEMBL6093597 0.72 HTT (0.52) ALDH1A1KDM4EL3MBTL1PIK3CAHSD17B10
SCHEMBL15569312 0.72 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1HSD17B10HPGD
SCHEMBL387677 0.71 SMN1; SMN2 (0.42) ALDH1A1KDM4EL3MBTL1HSD17B10HPGD
SCHEMBL15570276 0.70 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1HSD17B10HPGD
SCHEMBL22900489 0.70 KMT2A (0.46) ALDH1A1KDM4EL3MBTL1HSD17B10USP2
SCHEMBL391742 0.70 KDM5B (0.45) ALDH1A1KDM4EL3MBTL1MAPK1TP53
SCHEMBL17473231 0.69 PIK3CA (0.48) ALDH1A1KDM4EL3MBTL1PIK3CAHSD17B10

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
WO-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed