SCHEMBL4147233

SCHEMBL4147233

Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 1.00
CDC25B P30305 2/20 1.00
ALDH1A1 P00352 11/20 0.89
MAPT P10636 3/20 0.89
L3MBTL1 Q9Y468 2/20 0.89
POLB P06746 3/20 0.80
HPGD P15428 2/20 0.73
RAB9A P51151 5/20 0.72
ALPG P10696 2/20 0.69
ALPL P05186 1/20 0.69
GAA P10253 1/20 0.69
PLAA Q9Y263 1/20 0.69
USP2 O75604 2/20 0.68
PKM P14618 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KDM4E B2RXH2 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP1A2 P05177 1/20 0.64

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
SCHEMBL6404890 0.94 ALDH1A1 (1.00) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL4205396 0.89 ALDH1A1 (0.85) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL4209017 0.88 POLB (0.80) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL4206769 0.86 CDC25A (0.75) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL23527313 0.85 ALDH1A1 (0.84) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL6274937 0.85 MAPT (0.77) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL4203731 0.84 ALDH1A1 (1.00) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL18556537 0.84 ALDH1A1 (1.00) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL4203026 0.81 ALDH1A1 (0.77) CDC25ACDC25BALDH1A1MAPTL3MBTL1
SCHEMBL23527195 0.81 ALDH1A1 (0.77) CDC25ACDC25BALDH1A1MAPTL3MBTL1

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
WO-2009078587-A2 COMPOSITION FOR PREVENTION AND TREATMENT OF CANCER CONTAINING TRIAZOLYL-THIO-ETHANONE DERIVATIVES INHIBITING ACTIVITY OF PROTEIN PHOSPHATASES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-06-25 WO claimed
WO-2009078587-A2 COMPOSITION FOR PREVENTION AND TREATMENT OF CANCER CONTAINING TRIAZOLYL-THIO-ETHANONE DERIVATIVES INHIBITING ACTIVITY OF PROTEIN PHOSPHATASES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-06-25 WO disclosed
WO-2009078587-A2 COMPOSITION FOR PREVENTION AND TREATMENT OF CANCER CONTAINING TRIAZOLYL-THIO-ETHANONE DERIVATIVES INHIBITING ACTIVITY OF PROTEIN PHOSPHATASES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-06-25 WO disclosed