SCHEMBL27794805

SCHEMBL27794805

CCCc1ccc(S(=O)(=O)O)c(OCCOCCOCCn2ccnc2[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 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
SCHEMBL27853767 0.78 EGFR (0.44) EGFRJAK2ROS1PDGFRAFLT4
SCHEMBL13942280 0.74 CA12 (0.50) EGFRJAK2ROS1PDGFRAFLT4
SCHEMBL15844605 0.72 EGFR (0.50) EGFRJAK2ROS1PDGFRAFLT4
SCHEMBL15844661 0.72 EGFR (0.52) EGFRJAK2ROS1PDGFRAFLT4
SCHEMBL21751904 0.71 CA12 (0.39) CA12CA1CA9
SCHEMBL27847781 0.70 HTR2A (0.37) —
SCHEMBL27794803 0.68 CA12 (0.52) EGFRJAK2ROS1PDGFRAFLT4
SCHEMBL13942278 0.68 TYMP (0.49) CA12CA1CA2CA9
SCHEMBL27794804 0.68 CA12 (0.46) EGFRJAK2ROS1PDGFRAFLT4
SCHEMBL13941943 0.67 CA12 (0.48) EGFRCA12CA1CA2CA9

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
CN-101654465-B Caobonyl technetium labeled 2-azomycin composition, preparation method and application UNIV LANGZHOU 2012-10-03 — — CN disclosed
CN-101654465-A Caobonyl technetium labeled 2-azomycin composition, preparation method and application UNIV LANZHOU 2010-02-24 — — CN disclosed
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