SCHEMBL7465134

SCHEMBL7465134

CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)N3C(=O)C(N[C@@H](CCCCNC(=O)OCc4ccccc4)CO[Si](C)(C)C)(c4ccccc4Cl)c4cc(Cl)ccc43)ccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 17/20 0.37
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ACE P12821 1/20 0.33
TP53 P04637 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
SCHEMBL7472874 0.94 PTPN11 (0.38) PTPN11MMP2MMP9
SCHEMBL7467895 0.77 PTPN11 (0.41) PTPN11
SCHEMBL7467700 0.77 MMP2 (0.41) MMP2MMP9
SCHEMBL7464677 0.77 MMP2 (0.41) MMP2MMP9
Trifluoroacetic Acid SCHEMBL8590187 0.75 PTPN11 (0.39) PTPN11
SCHEMBL7474973 0.75 MAPT (0.40) MMP2MMP9
SCHEMBL9288393 0.75 MAPT (0.40) MMP2MMP9
SCHEMBL7470458 0.74 PTPN11 (0.40) PTPN11
SCHEMBL7466955 0.73 PTPN11 (0.37) PTPN11TP53
SCHEMBL7466247 0.72 PTPN11 (0.39) PTPN11TP53

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-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed