SCHEMBL28873089

SCHEMBL28873089

NC(=O)CCCc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 1/20 0.36
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ HDAC1 Q13547 2/20 0.30
▸ HDAC2 Q92769 2/20 0.30

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
SCHEMBL10361595 0.85 TBXAS1 (0.43) —
SCHEMBL17165345 0.84 HTT (0.41) GDAPARP1
SCHEMBL11222090 0.83 PDPK1 (0.32) GDAXDH
SCHEMBL6029478 0.82 CASP1 (0.31) ADORA2AADORA1
SCHEMBL766489 0.82 HRH3 (0.35) ADORA2AADORA1
SCHEMBL19746432 0.81 — —
SCHEMBL7490404 0.81 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL2060117 0.81 KDM4E (0.35) ADORA2AADORA1
SCHEMBL4551801 0.79 ADORA2A (0.44) TLR8ADORA2AADORA1
SCHEMBL38911 0.79 HRH1 (0.38) ADORA2AADORA1

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
CN-109641015-A By removing tri-methylated increase human somatic cell nuclear transfer (SCNT) efficiency of histone H 3-lysine, and the method and composition of increase mankind NT-ESC derivative 儿童医疗中心有限公司 2019-04-16 — — CN disclosed
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