SCHEMBL25821197

SCHEMBL25821197

CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)nc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 2/20 0.43
MAP4K4 O95819 1/20 0.43
POLB P06746 1/20 0.43
GPR119 Q8TDV5 6/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
HDAC4 P56524 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL27202974 0.86 CKS1B (0.46) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL25314946 0.82 MAP4K4 (0.50) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL31006176 0.82 MAP4K4 (0.50) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL25322195 0.81 BACE1 (0.48) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL30218618 0.81 BACE1 (0.48) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL14551197 0.80 CKS1B (0.45) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL2851031 0.80 BACE1 (0.46) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL29790203 0.80 BACE1 (0.49) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL22912767 0.80 BACE1 (0.49) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL428233 0.79 GBA1 (0.48) CKS1BSKP1SKP2ALDH1A1LMNA

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-2023118085-A1 METHODS OF TREATING BRAIN TUMOURS AND NEUROBLASTOMAS ASTRAZENECA AB (SE) 2023-06-29 WO disclosed