SCHEMBL9212102

SCHEMBL9212102

COC(=O)NC1(c2ccccc2Cl)C(=O)Nc2c(Cc3ccc(C(=O)NC(C)(C)C)cc3OC)cc(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
HDAC8 Q9BY41 2/20 0.35
ANO1 Q5XXA6 4/20 0.34
IP6K1 Q92551 1/20 0.34
PDE4D Q08499 1/20 0.34
PLA2G4A P47712 3/20 0.34
HPGD P15428 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33

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
SCHEMBL9220003 0.92 ANO1 (0.37) ROCK2ROCK1HDAC8ANO1IP6K1
SCHEMBL9212183 0.86 BRD4 (0.33) ROCK2ROCK1HDAC8ANO1IP6K1
SCHEMBL9220670 0.79 ROCK2 (0.36) ROCK2ROCK1HDAC8IP6K1PDE4D
SCHEMBL7476645 0.78 MAPT (0.42) HDAC8ANO1
SCHEMBL9213702 0.77 SIRT2 (0.34) ANO1IP6K1
SCHEMBL9218597 0.73 HPGD (0.37) ROCK2ROCK1HDAC8IP6K1PDE4D
SCHEMBL9219764 0.72 AR (0.36) ANO1IP6K1
SCHEMBL9212844 0.72 THRB (0.33) ROCK2ROCK1HDAC8PDE4D
SCHEMBL9212713 0.71 SIRT2 (0.35) ANO1IP6K1
SCHEMBL9219603 0.71 ACLY (0.33) ROCK2ROCK1

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