SCHEMBL7064441

SCHEMBL7064441

CCc1cc(C[C@H](NC(C)=O)C(=O)N(CCc2ccc([N+](=O)[O-])cc2)C(=O)NC)ccc1Nc1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.54
PTPN2 P17706 7/20 0.51
PTPRA P18433 3/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL7064440 1.00 PTPN1 (0.54) PTPN1PTPN2PTPRAMYCMAX
SCHEMBL7204760 1.00 PTPN1 (0.54) PTPN1PTPN2PTPRAMYCMAX
SCHEMBL7571001 0.84 PTPN1 (0.71) PTPN1PTPN2PTPRAMYCMAX
SCHEMBL7576946 0.84 PTPN1 (0.71) PTPN1PTPN2PTPRAMYCMAX
SCHEMBL7570995 0.84 PTPN1 (0.71) PTPN1PTPN2PTPRAMYCMAX
SCHEMBL7204762 0.79 PTPN1 (0.57) PTPN1PTPN2PTPRA
SCHEMBL7064445 0.79 PTPN1 (0.57) PTPN1PTPN2PTPRA
SCHEMBL7065601 0.70 PTPN1 (1.00) PTPN1PTPN2PTPRA
SCHEMBL7568932 0.70 PTPN1 (1.00) PTPN1PTPN2PTPRA
SCHEMBL7065596 0.70 PTPN1 (1.00) PTPN1PTPN2PTPRA

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-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed