SCHEMBL31498912

SCHEMBL31498912

CN(C)C=C1C(=O)C(C)(C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ TGM2 P21980 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
SCHEMBL23609353 1.00 NR1H2 (0.34) NR1H2KDM1ADDB1CRBNBUB1
SCHEMBL23608365 0.86 KDM1A (0.39) NR1H2KDM1ADDB1CRBNBUB1
SCHEMBL29882398 0.86 KDM1A (0.39) NR1H2KDM1ADDB1CRBNBUB1
SCHEMBL23608548 0.84 KDM1A (0.31) KDM1ADDB1CRBNBUB1
SCHEMBL23580614 0.84 KDM1A (0.31) KDM1ADDB1CRBNBUB1
SCHEMBL23580616 0.84 KDM1A (0.31) KDM1ADDB1CRBNBUB1
SCHEMBL27020398 0.83 KDM1A (0.30) KDM1ADDB1CRBNBUB1
SCHEMBL23608878 0.80 — —
SCHEMBL23580042 0.79 GAA (0.30) —
SCHEMBL27020017 0.79 DDB1 (0.35) KDM1ADDB1CRBNBUB1

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
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 — — CN disclosed
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