SCHEMBL25718690

SCHEMBL25718690

CC(C)(C)OC(=O)NCCCCCCOc1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.61
▸ CA1 P00915 7/20 0.61
▸ CA2 P00918 7/20 0.61
▸ CA9 Q16790 7/20 0.61
▸ TSHR P16473 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ EGFR P00533 2/20 0.47
▸ ITK Q08881 2/20 0.47
▸ SUCNR1 Q9BXA5 4/20 0.46
▸ PDK2 Q15119 1/20 0.46

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
SCHEMBL463829 1.00 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL30448576 1.00 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL25718490 0.99 CA1 (0.60) CA12CA1CA2CA9TSHR
SCHEMBL30448898 0.99 CA1 (0.60) CA12CA1CA2CA9TSHR
SCHEMBL10288896 0.95 CA1 (0.59) CA12CA1CA2CA9TSHR
SCHEMBL29379579 0.91 CA12 (0.58) CA12CA1CA2CA9TSHR
SCHEMBL541782 0.91 CA12 (0.58) CA12CA1CA2CA9TSHR
SCHEMBL24061179 0.88 CA1 (0.55) CA12CA1CA2CA9EGFR
SCHEMBL30595926 0.88 CA1 (0.55) CA12CA1CA2CA9EGFR
SCHEMBL18041357 0.87 BCHE (0.52) CA12CA1CA2CA9TSHR

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
WO-2023091565-A1 NSD2-TARGETED CHEMICAL DEGRADERS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-05-25 — — WO disclosed
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