SCHEMBL4148048

SCHEMBL4148048

COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 13/20 1.00
CDC25A P30304 8/20 1.00
CDC25B P30305 8/20 1.00
L3MBTL1 Q9Y468 3/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALPL P05186 3/20 0.65
LMNA P02545 3/20 0.64
KDM4E B2RXH2 2/20 0.64
GAA P10253 2/20 0.64
ALOX12 P18054 2/20 0.64
RECQL P46063 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.62
JAK2 O60674 1/20 0.62
PTP4A3 O75365 1/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.62
PLAA Q9Y263 1/20 0.62

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
SCHEMBL4143469 0.92 ALPG (1.00) ALPGCDC25ACDC25BL3MBTL1TDP1
SCHEMBL4137109 0.88 ALPG (1.00) ALPGCDC25ACDC25BL3MBTL1ALPL
SCHEMBL4155648 0.88 CDC25A (1.00) ALPGCDC25ACDC25BL3MBTL1ALPL
SCHEMBL6211001 0.86 MAPT (0.82) ALPGCDC25ACDC25BLMNASMN1; SMN2
SCHEMBL6192401 0.85 ALPG (0.74) ALPGCDC25ACDC25BALPLLMNA
SCHEMBL6211327 0.83 CDC25A (0.83) ALPGCDC25ACDC25BLMNAMAPT
SCHEMBL6192012 0.82 ALPG (0.69) ALPGCDC25ACDC25BALPLLMNA
SCHEMBL13856844 0.78 ALPG (0.64) ALPGCDC25ACDC25BALPLLMNA
SCHEMBL6213562 0.78 ALPG (0.64) ALPGCDC25ACDC25BALPLLMNA
SCHEMBL6844152 0.78 ALPG (0.75) ALPGCDC25ACDC25BL3MBTL1ALPL

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-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