SCHEMBL8089293

SCHEMBL8089293

CN(CCO)c1ccnc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
MAP4K4 O95819 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
TYMS P04818 1/20 0.36
EGFR P00533 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
APP P05067 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33

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
SCHEMBL4308808 0.82 ALDH1A1 (0.50) TSHRTYMSKDM4EALDH1A1SIRT2
SCHEMBL18586340 0.79 KMT2A (0.39) MAPTHSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL31162515 0.79 POLB (0.41) POLBMAPTMAP4K4EGFRHSD17B10
SCHEMBL2536197 0.77 MAP4K4 (0.41) POLBMAPTMAP4K4EGFRHSD17B10
SCHEMBL31098957 0.75 SIRT2 (0.41) TYMSEGFRKDM4EALDH1A1SIRT2
SCHEMBL1283842 0.74 CHRM5 (0.50) POLBMAPTL3MBTL1NOX1
SCHEMBL13985851 0.73 MAP4K4 (0.39) POLBMAPTMAP4K4EGFRHSD17B10
SCHEMBL6098360 0.73 POLB (0.44) POLBMAPTMAP4K4EGFRHSD17B10
SCHEMBL9056033 0.72 POLB (0.34) POLBMAPTMAP4K4HSD17B10KDM4E
Hydrochloric Acid SCHEMBL2539026 0.72 MAP4K4 (0.38) POLBMAPTMAP4K4EGFRHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105720-C Imidazopyridazines compound AOTANNA MEDICINE AG (DE) 2003-04-16 CN disclosed
US-6043242-A TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-28 US disclosed
CN-1246120-A Imidazopyridazines compound BYK GULDEN LOMBERG CHEM FAB (DE) 2000-03-01 CN disclosed
EP-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 WO disclosed