SCHEMBL7463704

SCHEMBL7463704

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 5/20 0.37
NPSR1 Q6W5P4 4/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
RORC P51449 9/20 0.34
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
PAX8 Q06710 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
SCHEMBL7468900 1.00 MAPT (0.37) MAPTTDP1NPSR1KDM4EKMT2A
SCHEMBL7464677 0.91 MMP2 (0.41) CA1CA2RORC
SCHEMBL7467700 0.91 MMP2 (0.41) CA1CA2RORC
SCHEMBL7470889 0.89 NPSR1 (0.35) MAPTNPSR1CA1CA2GAA
SCHEMBL7475987 0.89 NPSR1 (0.35) MAPTNPSR1CA1CA2GAA
Trifluoroacetic Acid SCHEMBL8742783 0.86 TDP1 (0.36) TDP1NPSR1CA1CA2GAA
Trifluoroacetic Acid SCHEMBL8742823 0.86 TDP1 (0.36) TDP1NPSR1CA1CA2GAA
SCHEMBL8593348 0.83 NPSR1 (0.39) MAPTNPSR1KDM4EGAA
SCHEMBL8593351 0.83 NPSR1 (0.39) MAPTNPSR1KDM4EGAA
SCHEMBL8589703 0.80 CA1 (0.34) MAPTTDP1NPSR1KDM4EKMT2A

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
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