SCHEMBL27125391

SCHEMBL27125391

CC(C)(C)C(=O)NNC(=O)c1cc2c(cc1F)SCC(NC(=O)O)C(=O)N2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CRBN Q96SW2 4/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 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
SCHEMBL26962775 1.00 KDM4E (0.33) KDM4ESMN1; SMN2CRBNMAPTHDAC1
SCHEMBL29796749 0.89 GAA (0.36) CRBN
SCHEMBL26961757 0.89 GAA (0.36) CRBN
SCHEMBL27119544 0.83 CRBN (0.37) KDM4ESMN1; SMN2CRBNMAPTHDAC1
SCHEMBL26961944 0.83 CRBN (0.37) KDM4ESMN1; SMN2CRBNMAPTHDAC1
SCHEMBL26961985 0.83 HDAC1 (0.42) KDM4ESMN1; SMN2MAPTHDAC1HDAC8
SCHEMBL31628285 0.80 — —
SCHEMBL31375537 0.79 GAA (0.34) —
SCHEMBL31628061 0.79 GAA (0.34) —
SCHEMBL30830313 0.79 GAA (0.34) —

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-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
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