SCHEMBL7480468

SCHEMBL7480468

Nc1sc2c(c1C(=O)O)CC(C(=O)N1Cc3ccccc3C1)N(C(=O)O)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAD52 P43351 1/20 0.43
PREP P48147 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TFPI2 P48307 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HDAC2 Q92769 1/20 0.34
KEAP1 Q14145 1/20 0.33

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
SCHEMBL7483750 0.84 ADORA1 (0.40) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL7860317 0.79 ADORA1 (0.42) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL27077058 0.74 MAPT (0.56) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL27077062 0.74 MAPT (0.56) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL5837716 0.73 GRM6 (0.38) ADORA1MAPTKDM4EGAALMNA
SCHEMBL7480457 0.73 ADORA1 (0.41) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL6049947 0.72 ADORA1 (0.44) ADORA1MAPTALDH1A1KDM4ERAD52
SCHEMBL25377457 0.67 PREP (0.69) MAPTPREPGAAMEN1KMT2A
SCHEMBL25379533 0.67 PREP (0.55) MAPTALDH1A1PREPGAAMEN1
SCHEMBL25378171 0.67 PREP (0.55) MAPTALDH1A1PREPGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed