SCHEMBL12987883

SCHEMBL12987883

C=CCc1cc(Cl)sc1Br.[MgH2]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
GAA P10253 1/20 0.35
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 2/20 0.30
ALOX5 P09917 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL12987427 0.80 GABRA1 (0.34) GABRA1GABRB2POLBMAPT
SCHEMBL8964661 0.79 GAA (0.39) GABRA1GABRB2GAAPTGDRPTGDR2
SCHEMBL252057 0.78 GABRA1 (0.35) GABRA1GABRB2POLBMAPT
SCHEMBL1419671 0.78 GABRA1 (0.35) GABRA1GABRB2POLBMAPTMEN1
SCHEMBL3469771 0.74 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL3434731 0.74 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL251252 0.72 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL253344 0.72 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL4092917 0.71
SCHEMBL16703569 0.71 GABRA1 (0.33) GABRA1GABRB2PTGDRPTGDR2

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-2694567-A2 CONTROLLED METHOD FOR PRODUCING CONJUGATED POLYMERS Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2014-02-12 EP disclosed
WO-2012136675-A2 CONTROLLED METHOD FOR PRODUCING CONJUGATED POLYMERS LEIBNIZ-INSTITUT FÜR POLYMERFORSCHUNG DRESDEN E.V. (DE) 2012-10-11 WO disclosed