SCHEMBL9218048

SCHEMBL9218048

CCN(CC)C(=O)NC1(c2ccccc2Cl)C(=O)Nc2c1cc(Cl)cc2S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.39
ABCC8 Q09428 7/20 0.39
KCNJ11 Q14654 7/20 0.39
KCNJ8 Q15842 7/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
NAMPT P43490 6/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL9219229 0.94 NPSR1 (0.43) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9215077 0.87 NPSR1 (0.41) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9215473 0.86 NPSR1 (0.38) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9209710 0.85 NPSR1 (0.39) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9219789 0.83 NPSR1 (0.41) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9217235 0.82 NPSR1 (0.35) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9218026 0.82 NPSR1 (0.39) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9215385 0.82 NPSR1 (0.37) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9217130 0.82 NPSR1 (0.37) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL9212742 0.81 NPSR1 (0.41) ABCC9ABCC8KCNJ11KCNJ8MAPT

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