SCHEMBL9220132

SCHEMBL9220132

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(N)c2ccccc2Cl)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MCHR1 Q99705 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL9215375 0.91 MAPT (0.34) CA12CA1CA2CA9ABCC9
SCHEMBL9217235 0.89 NPSR1 (0.35) CA12CA1CA2CA9ABCC9
SCHEMBL9217189 0.88 ABCC9 (0.34) CA12CA1CA2CA9ABCC9
SCHEMBL9222097 0.88 NPSR1 (0.34) CA12CA1CA2CA9ABCC9
SCHEMBL9212742 0.87 NPSR1 (0.41) CA12CA1CA2CA9ABCC9
SCHEMBL9221149 0.86 NPSR1 (0.39) CA12CA1CA2CA9ABCC9
SCHEMBL6602895 0.81 AVPR1B (0.35) MAPTTP53TDP1MEN1KMT2A
SCHEMBL9221928 0.81 MAPT (0.34) CA12CA1CA2CA9ABCC9
SCHEMBL9218094 0.80 MAPT (0.35) CA12CA1CA2CA9ABCC9
SCHEMBL9218597 0.79 HPGD (0.37) LMNATP53ACLYTSHR

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-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) 1995-12-20 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