SCHEMBL17506714

SCHEMBL17506714

O=NCc1cc(CO)cc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 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
SCHEMBL17366364 0.86 — —
SCHEMBL25112391 0.82 TSHR (0.38) KDM4EMAPTTSHR
SCHEMBL18758459 0.81 GRIN2D (0.45) TSHR
SCHEMBL18292827 0.79 ACHE (0.42) ACHEKDM4EMAPT
SCHEMBL12714287 0.79 TSHR (0.43) TSHR
SCHEMBL18292730 0.78 S1PR1 (0.30) —
SCHEMBL63159 0.76 ACHE (0.62) ACHEKDM4ECASP6MAPTTSHR
SCHEMBL22102724 0.75 TSHR (0.34) TSHR
SCHEMBL18292655 0.74 — —
SCHEMBL23784698 0.74 ACHE (0.48) ACHE

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
EP-2982679-A1 IMMUNE REGULATORY OLIGONUCLEOTIDE (IRO) COMPOUNDS TO MODULATE TOLL-LIKE RECEPTOR BASED IMMUNE RESPONSE Idera Pharmaceuticals, Inc. (US) 2016-02-10 — — EP disclosed
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