SCHEMBL3717690

SCHEMBL3717690

COC(=O)c1cncc(-c2ccc(C#Cc3ccc(CN4CCOCC4)nc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MTOR P42345 1/20 0.42
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
MAPK14 Q16539 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
CD274 Q9NZQ7 3/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3712170 0.89 MAPK1 (0.52) HRH3MAPK1SMN1; SMN2
SCHEMBL13187713 0.88 HDAC1 (0.44) HRH3HIF1AEPAS1CD274
SCHEMBL3709590 0.85 HIF1A (0.43) HRH3MTORMAPK14HIF1AEPAS1
SCHEMBL3713942 0.84 HRH3 (0.43) HRH3MTORMAPK14HIF1AEPAS1
SCHEMBL3713032 0.82 MTOR (0.40) HRH3MTORMAPK14HIF1AEPAS1
SCHEMBL3713019 0.78 GSK3B (0.42) HRH3MAPK14HIF1AEPAS1GSK3B
SCHEMBL17075531 0.77 HRH3 (0.61) HRH3HIF1AEPAS1MAPK1SMN1; SMN2
SCHEMBL3711052 0.76 MAPK1 (0.48) MAPK1SMN1; SMN2
SCHEMBL3712780 0.76 ACP1 (0.49) HIF1AEPAS1
SCHEMBL3714232 0.76 HDAC1 (0.54)

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed