SCHEMBL9212844

SCHEMBL9212844

CCOC(=O)C(C)(C)NC(=O)c1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(NC)c2ccccc2Cl)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
CPT1A P50416 4/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HTT P42858 1/20 0.33
PDE4D Q08499 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDR1 Q08345 2/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
APP P05067 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 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
SCHEMBL9220670 0.82 ROCK2 (0.36) CPT1AROCK2ROCK1PDE4DLMNA
SCHEMBL7468218 0.81 AVPR1A (0.40) HTTMAPTTSHR
SCHEMBL9218597 0.79 HPGD (0.37) CPT1AROCK2ROCK1PDE4DLMNA
SCHEMBL9217252 0.78 HTT (0.35) THRBHTTSMN1; SMN2LMNAMAPT
SCHEMBL9221306 0.74 IDH1 (0.34) CPT1AKMT2AMEN1MAPT
SCHEMBL9211589 0.73 MAPT (0.37) HTTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL9219603 0.73 ACLY (0.33) CPT1AROCK2ROCK1
SCHEMBL9218306 0.73 ACLY (0.33) CPT1AROCK2ROCK1KMT2ANPC1
SCHEMBL9217235 0.72 NPSR1 (0.35) THRBHTTKMT2AMEN1POLB
SCHEMBL9220003 0.72 ANO1 (0.37) ROCK2ROCK1PDE4DHDAC8ALDH1A1

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