SCHEMBL31583259

SCHEMBL31583259

Cn1nc(C(F)F)c2cccc(CC(=O)OC(C)(C)C)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ SSTR4 P31391 4/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL31582832 0.91 SMN1; SMN2 (0.36) L3MBTL1MTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL31583192 0.84 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL31583096 0.84 L3MBTL1 (0.40) L3MBTL1MTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL31582800 0.80 L3MBTL1 (0.35) L3MBTL1MTNR1AMTNR1BKDM4EACHE
SCHEMBL31582655 0.77 LMNA (0.33) SMN1; SMN2LMNASSTR4
SCHEMBL31582995 0.75 MTNR1A (0.36) L3MBTL1MTNR1AMTNR1BACHESIRT5
SCHEMBL31583078 0.74 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL31583497 0.71 L3MBTL1 (0.36) L3MBTL1MTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL9863289 0.69 MTNR1A (0.52) L3MBTL1MTNR1AMTNR1BKDM4ENPC1
SCHEMBL2914936 0.69 SIRT5 (0.59) L3MBTL1SMN1; SMN2LMNAKDM4EHTT

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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