SCHEMBL900202

SCHEMBL900202

CC(C)c1c[c]c(Cl)c(SC(F)(F)F)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL900412 0.77
SCHEMBL900914 0.73
SCHEMBL12040953 0.72 PDE2A (0.37) HTR2APDE2A
SCHEMBL12828160 0.69 PDE2A (0.40) HTR2APDE2A
SCHEMBL900866 0.69 PTGS2 (0.31)
SCHEMBL23902124 0.67 PDE2A (0.38) HTR2APDE2A
SCHEMBL18720477 0.67 PDE2A (0.44) HTR2APDE2A
SCHEMBL13939896 0.63 PDE2A (0.59) PDE2A
SCHEMBL12828105 0.63 LMNA (0.42) HTR2APDE2A
SCHEMBL9967680 0.62 KDM4E (0.58) PDE2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed