SCHEMBL30730201

SCHEMBL30730201

COC(=O)c1cc(C)nn1C(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1H2 P55055 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL30730095 0.81 ALDH1A1 (0.41) ALDH1A1GAARAB9A
SCHEMBL908480 0.80 NR1H2 (0.34) ALDH1A1ATML3MBTL1TDP1NR1H2
SCHEMBL12879029 0.79 ALDH1A1 (0.40) ALDH1A1ATML3MBTL1GAARAB9A
SCHEMBL22637774 0.75 GAA (0.38) ALDH1A1ATML3MBTL1GAARAB9A
SCHEMBL31206453 0.74 GAA (0.33) ALDH1A1ATML3MBTL1GAATDP1
SCHEMBL30730019 0.70 LMNA (0.44) SMN1; SMN2
SCHEMBL4884851 0.69 CYP1A2 (0.40) ALDH1A1NR1H2RAB9ASMN1; SMN2
SCHEMBL12410988 0.68 SMN1; SMN2 (0.47) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL975064 0.68 SMN1; SMN2 (0.47) ALDH1A1ATML3MBTL1GAARAB9A
SCHEMBL12307408 0.68 STING1 (0.44) ALDH1A1GAARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed