SCHEMBL9218094

SCHEMBL9218094

CCOc1cc2c(c(S(=O)(=O)c3ccc(NC(=O)N(CC)CC)cc3OC)c1)NC(=O)C2(NC(=O)OC)c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
GRM4 Q14833 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
AHR P35869 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL9217189 0.91 ABCC9 (0.34) MAPTTHRBABCC9ABCC8KCNJ11
SCHEMBL9215375 0.89 MAPT (0.34) MAPTTHRBRXFP1ABCC9ABCC8
SCHEMBL9221928 0.89 MAPT (0.34) MAPTTHRBRXFP1ABCC9ABCC8
SCHEMBL9217235 0.87 NPSR1 (0.35) MAPTTHRBABCC9ABCC8KCNJ11
SCHEMBL9222097 0.85 NPSR1 (0.34) MAPTTHRBABCC9ABCC8KCNJ11
SCHEMBL9218931 0.84 NPSR1 (0.37) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL7476157 0.81 AVPR1A (0.38) MAPTTHRBRXFP1MEN1KMT2A
SCHEMBL9221306 0.80 IDH1 (0.34) MAPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9220132 0.80 CA12 (0.35) MAPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9211589 0.78 MAPT (0.37) MAPTMEN1KMT2ALMNASMN1; SMN2

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