SCHEMBL28646996

SCHEMBL28646996

CCC(C(=O)NCCN)N1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TERT O14746 2/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RRM1 P23921 1/20 0.33
▸ GPR88 Q9GZN0 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TLR2 O60603 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31

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
SCHEMBL13610484 0.84 TSHR (0.35) TSHRUSP2AKT1CYP1A2THRB
SCHEMBL14217890 0.82 ALDH1A1 (0.40) TSHRUSP2AKT1GAANFKB1
SCHEMBL25682469 0.81 L3MBTL1 (0.34) TSHRUSP2AKT1DPP7RRM1
SCHEMBL17841877 0.81 TERT (0.40) TSHRTERTAKT1GAAGPR88
SCHEMBL30269173 0.81 TERT (0.40) TSHRTERTAKT1GAAGPR88
SCHEMBL20887626 0.78 PKM (0.33) TSHRCYP1A2
SCHEMBL22134518 0.77 TSHR (0.40) TSHRUSP2TERTDPP7GAA
SCHEMBL21648874 0.76 ANPEP (0.44) THRBL3MBTL1
SCHEMBL19302564 0.76 TERT (0.31) TERTAKT1
SCHEMBL31087110 0.75 GNAI3 (0.40) GRIA1TLR2SIRT6SIRT1GNAI3

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-116059390-A Prodrugs of cytotoxic actives with enzymatically cleavable groups 拜耳制药股份公司 2023-05-05 — — CN disclosed
CN-114917361-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2022-08-19 — — CN disclosed
CN-107635586-B Antibody-drug conjugates (ADC) of KSP inhibitors with aglycosylated anti-TWEAKR antibodies 拜耳医药股份有限公司 2021-09-24 — — CN disclosed
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