SCHEMBL28853291

SCHEMBL28853291

Cc1cn(CC2CO2)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALPL P05186 2/20 0.35
▸ PLAA Q9Y263 1/20 0.35
▸ ALPG P10696 1/20 0.34
▸ QPCT Q16769 10/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ PHF8 Q9UPP1 1/20 0.31

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
SCHEMBL24501677 1.00 TP53 (0.36) TP53HBBSMN1; SMN2ALPLPLAA
SCHEMBL24496052 0.77 TP53 (0.33) TP53HBBSMN1; SMN2KDM4C
SCHEMBL24496393 0.77 TP53 (0.33) TP53HBBSMN1; SMN2KDM4C
SCHEMBL24501908 0.77 TP53 (0.33) TP53HBBSMN1; SMN2KDM4C
SCHEMBL12247669 0.77 PHF8 (0.49) ALPLPLAAALPGQPCTKDM4C
SCHEMBL22198925 0.70 KDM2B (0.52) ALPLPLAAQPCTKDM4CPHF8
SCHEMBL13681754 0.69 PHF8 (0.37) PHF8
SCHEMBL13681917 0.69 KDM2B (0.45) ALPLPLAAQPCTKDM4CPHF8
SCHEMBL10529956 0.67 — —
SCHEMBL2969002 0.67 — —

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-107501358-A A kind of heterocycle chitosan oligosaccharide derivative and its synthetic method 河南农业大学 2017-12-22 — — CN disclosed
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