SCHEMBL17430453

SCHEMBL17430453

COC(=O)[C@@H](N)CCCCNC(=O)CN=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ DPP7 Q9UHL4 3/20 0.37
▸ OTC P00480 1/20 0.37
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ RRM1 P23921 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ S1PR2 O95136 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ DDAH1 O94760 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL26740124 0.87 CA2 (0.36) CA2CA9DPP7OTCGNAI3
SCHEMBL13464207 0.85 OTC (0.52) CA2CA9OTCMEN1KMT2A
SCHEMBL13445977 0.85 OTC (0.52) CA2CA9OTCMEN1KMT2A
SCHEMBL22691090 0.85 OTC (0.52) CA2CA9OTCMEN1KMT2A
SCHEMBL13446011 0.84 DPP7 (0.43) CA2CA9DPP7OTCGNAI3
SCHEMBL14674509 0.83 CA2 (0.34) CA2CA9DPP7OTCGNAI3
SCHEMBL20528882 0.80 OTC (0.57) CA2CA9OTCMEN1KMT2A
SCHEMBL21611916 0.80 OTC (0.48) CA2CA9OTCMEN1KMT2A
SCHEMBL21611915 0.80 OTC (0.48) CA2CA9OTCMEN1KMT2A
Hydrochloric Acid SCHEMBL15528000 0.80 LTA4H (0.36) DPP7OTCALB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021236599-A1 CONJUGATED OLIGONUCLEOTIDES AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2021-11-25 — — WO disclosed
WO-2020236755-A2 ANGIOTENSIN II TYPE 1 RECEPTOR TARGETED OLIGONUCLEOTIDES AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2020-11-26 — — WO disclosed
EP-2898085-B1 CELL LINES MEDIMMUNE LTD (GB) 2019-01-23 — — EP disclosed
WO-2016005474-A1 SITE SELECTIVE CONJUGATION OF AN OLIGONUCLEOTIDE CONJUGATE OR A SMALL MOLECULE TO A METAL BINDING PROTEIN AFFYCON APS (DK) 2016-01-14 — — WO disclosed
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