SCHEMBL9215375

SCHEMBL9215375

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
GRM4 Q14833 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
AHR P35869 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
SCHEMBL9220132 0.91 CA12 (0.35) MAPTCA12CA1CA2CA9
SCHEMBL9221928 0.90 MAPT (0.34) MAPTRXFP1THRBCA12CA1
SCHEMBL9219360 0.89 NPSR1 (0.37) MAPTRXFP1THRBCA12CA1
SCHEMBL9218094 0.89 MAPT (0.35) MAPTRXFP1THRBCA12CA1
SCHEMBL9217235 0.81 NPSR1 (0.35) MAPTTHRBCA12CA1CA2
SCHEMBL9222097 0.79 NPSR1 (0.34) MAPTTHRBCA12CA1CA2
SCHEMBL9217189 0.79 ABCC9 (0.34) MAPTTHRBCA12CA1CA2
SCHEMBL7466977 0.79 AVPR1A (0.39) MAPTRXFP1MEN1KMT2ALMNA
Water SCHEMBL8742785 0.79 AVPR1B (0.39) MAPTRXFP1MEN1KMT2ALMNA
Water SCHEMBL8589898 0.79 AVPR1B (0.39) MAPTRXFP1MEN1KMT2ALMNA

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