SCHEMBL28984929

SCHEMBL28984929

COC(=O)c1ccc2[nH]cc(C(=O)C(=O)NC3CCN(c4ccc(C)cc4Cl)C3=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
B3GAT3 O94766 1/20 1.00
NR4A2 P43354 3/20 0.43
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
CCR2 P41597 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL30267518 1.00 B3GAT3 (1.00) B3GAT3NR4A2CDK4CCND1RAB9A
SCHEMBL28984926 0.94 B3GAT3 (0.88) B3GAT3NR4A2CDK4CCND1RAB9A
SCHEMBL28984922 0.92 B3GAT3 (0.85) B3GAT3NR4A2CDK4CCND1RAB9A
SCHEMBL29504658 0.89 B3GAT3 (0.81) B3GAT3NR4A2RAB9ATP53ROCK2
SCHEMBL29504741 0.88 B3GAT3 (0.79) B3GAT3CDK4CCND1
SCHEMBL29504713 0.88 B3GAT3 (0.79) B3GAT3NR4A2CDK4CCND1RAB9A
SCHEMBL28984921 0.88 B3GAT3 (0.79) B3GAT3NR4A2CDK4CCND1
SCHEMBL28984931 0.88 B3GAT3 (0.79) B3GAT3NR4A2CDK4CCND1RAB9A
SCHEMBL29504687 0.88 B3GAT3 (0.79) B3GAT3NR4A2CDK4CCND1
SCHEMBL28984923 0.88 B3GAT3 (0.78) B3GAT3CDK4CCND1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974849-A Indoxyl acetamide derivative, pharmaceutical composition containing indoxyl acetamide derivative and application of indoxyl acetamide derivative 中国药科大学 2023-04-18 CN claimed
CN-115974849-B Indolyloxy acetamide derivative, pharmaceutical composition containing same and application of pharmaceutical composition 中国药科大学 2024-06-21 CN disclosed
CN-115974849-A Indoxyl acetamide derivative, pharmaceutical composition containing indoxyl acetamide derivative and application of indoxyl acetamide derivative 中国药科大学 2023-04-18 CN disclosed