SCHEMBL19015741

SCHEMBL19015741

CC(C)(C)OC(=O)CC(N)/C=C(\Cl)[S+]([O-])c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ PTPRC P08575 2/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL19015873 0.82 CTSK (0.39) ABCB1
SCHEMBL19015924 0.79 HDAC3 (0.35) —
SCHEMBL19015926 0.78 CA2 (0.35) CA2CA9SLC7A5L3MBTL1PTPRC
SCHEMBL7888214 0.75 ABCB1 (0.38) CA2CA9SLC7A5L3MBTL1PTPRC
SCHEMBL7967484 0.72 ABCB1 (0.39) CA2CA9SLC7A5PTPRCMTNR1A
SCHEMBL12889353 0.68 SLC15A1 (0.52) SLC7A5L3MBTL1KMT2ALTA4H
SCHEMBL1573827 0.68 CTSS (0.42) CA2CA9SLC7A5L3MBTL1KMT2A
SCHEMBL469053 0.68 CTSS (0.42) CA2CA9SLC7A5L3MBTL1KMT2A
SCHEMBL1952090 0.68 CTSS (0.42) CA2CA9SLC7A5L3MBTL1KMT2A
SCHEMBL20892278 0.68 MTNR1A (0.37) L3MBTL1KMT2APTPRCMTNR1AMTNR1B

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-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
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