SCHEMBL7464677

SCHEMBL7464677

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2C(=O)C(N[C@@H](CCCCNC(=O)OCc3ccccc3)C(=O)OC)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FOLH1 Q04609 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP13 P45452 1/20 0.36
TGM2 P21980 3/20 0.35
SIRT2 Q8IXJ6 9/20 0.35
SIRT1 Q96EB6 8/20 0.35
SIRT3 Q9NTG7 4/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL7467700 1.00 MMP2 (0.41) MMP2MMP9CA1CA2FOLH1
SCHEMBL7463704 0.91 MAPT (0.37) CA1CA2RORC
SCHEMBL7468900 0.91 MAPT (0.37) CA1CA2RORC
SCHEMBL7470889 0.88 NPSR1 (0.35) CA1CA2
SCHEMBL7475987 0.88 NPSR1 (0.35) CA1CA2
Trifluoroacetic Acid SCHEMBL8742783 0.86 TDP1 (0.36) CA1CA2
SCHEMBL8593348 0.83 NPSR1 (0.39)
SCHEMBL8593351 0.83 NPSR1 (0.39)
SCHEMBL8592050 0.80 CA1 (0.38) MMP2MMP9CA1CA2FOLH1
SCHEMBL7472874 0.79 PTPN11 (0.38) MMP2MMP9FOLH1

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
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
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed