SCHEMBL31583096

SCHEMBL31583096

Cc1nn(C)c2c(CC(=O)OC(C)(C)C)cccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ SLC16A3 O15427 1/20 0.36
▸ SLC16A1 P53985 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MTNR1A P48039 5/20 0.36
▸ MTNR1B P49286 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL31583192 0.87 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL31582832 0.84 SMN1; SMN2 (0.36) L3MBTL1SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL31583078 0.84 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL31583259 0.84 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL31583497 0.83 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2MTNR1AMTNR1BSLC22A12
SCHEMBL31582800 0.83 L3MBTL1 (0.35) L3MBTL1MTNR1AMTNR1BKDM4EACHE
SCHEMBL31582665 0.82 MTNR1A (0.34) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL31583004 0.80 MTNR1A (0.36) L3MBTL1MTNR1AMTNR1BKDM4ELMNA
SCHEMBL31582852 0.74 RECQL (0.46) L3MBTL1SMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL31582478 0.74 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2MTNR1AMTNR1BKDM4E

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-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 — — WO disclosed
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