SCHEMBL9217189

SCHEMBL9217189

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.32
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
SCHEMBL9217235 0.95 NPSR1 (0.35) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9222097 0.94 NPSR1 (0.34) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9218094 0.91 MAPT (0.35) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9221306 0.88 IDH1 (0.34) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9220132 0.88 CA12 (0.35) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9211589 0.86 MAPT (0.37) MAPTALDH1A1LMNATP53HTT
SCHEMBL9219229 0.84 NPSR1 (0.43) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9219603 0.83 ACLY (0.33) TDP1GAAACLY
SCHEMBL9209710 0.83 NPSR1 (0.39) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9217252 0.80 HTT (0.35) MAPTALDH1A1LMNATP53HTT

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 1 patent. 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