SCHEMBL19902325

SCHEMBL19902325

CC(C)C(=O)c1cnn(CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ STK17B O94768 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.36
▸ LATS1 O95835 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL17454460 0.86 L3MBTL1 (0.41) MALT1L3MBTL1ALDH1A1GFERMEN1
SCHEMBL18764806 0.86 L3MBTL1 (0.55) MALT1L3MBTL1ALDH1A1GFERMEN1
SCHEMBL18764807 0.85 DRD2 (0.41) MALT1L3MBTL1ALDH1A1GFERMEN1
SCHEMBL19902326 0.84 L3MBTL1 (0.43) MALT1L3MBTL1ALDH1A1GFERMEN1
SCHEMBL13975927 0.84 MALT1 (0.43) MALT1ALDH1A1GFERMEN1GAA
SCHEMBL13740008 0.82 ALDH1A1 (0.41) MALT1ALDH1A1GFERMEN1GAA
SCHEMBL13975444 0.81 LMNA (0.47) MALT1ALDH1A1GFERMEN1GAA
SCHEMBL24613337 0.80 KMT2A (0.43) MALT1ALDH1A1GFERMEN1GAA
SCHEMBL16899828 0.80 ALDH1A1 (0.41) MALT1ALDH1A1GFERMEN1GAA
SCHEMBL19558618 0.80 ALDH1A1 (0.41) MALT1ALDH1A1GFERMEN1GAA

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
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
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