SCHEMBL7464937

SCHEMBL7464937

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC1(c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
FOLH1 Q04609 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TGM2 P21980 1/20 0.40

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
SCHEMBL7470738 1.00 MMP2 (0.46) MMP2MMP9CA1CA2FOLH1
SCHEMBL7476845 0.88 MMP2 (0.42) MMP2MMP9FOLH1MEN1KMT2A
SCHEMBL9264893 0.87 SIRT2 (0.46) MMP2MMP9CA1CA2SIRT2
SCHEMBL7474973 0.86 MAPT (0.40) MMP2MMP9FOLH1MEN1KMT2A
SCHEMBL9288393 0.86 MAPT (0.40) MMP2MMP9FOLH1MEN1KMT2A
SCHEMBL7464677 0.75 MMP2 (0.41) MMP2MMP9CA1CA2FOLH1
SCHEMBL7473970 0.75 ADCY8 (0.42) MEN1KMT2A
SCHEMBL29549390 0.74 CA1 (0.63) MMP2MMP9CA1CA2FOLH1
SCHEMBL25932584 0.74 CA1 (0.63) MMP2MMP9CA1CA2FOLH1
SCHEMBL5066026 0.74 CBX7 (0.35) KMT2ATGM2

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