SCHEMBL20846191

SCHEMBL20846191

CCSc1ccccc1-c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.45
HTR6 P50406 1/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
MAP3K14 Q99558 1/20 0.44

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
SCHEMBL20846187 0.86 HTR6 (0.48) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846198 0.81 SLC6A4 (0.48) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846262 0.80 HTR6 (0.45) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL13323651 0.79 HTR6 (0.63) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846158 0.79 HTR6 (0.51) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846147 0.77 HTR6 (0.52) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846161 0.76 HTR6 (0.51) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846152 0.76 HTR6 (0.51) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846194 0.76 HTR6 (0.51) SLC6A4HTR6SLC6A2SLC6A3MAP3K14
SCHEMBL20846154 0.76 PIM1 (0.52) SLC6A4HTR6SLC6A2SLC6A3MAP3K14

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
WO-2019057660-A1 INDOLE AND AZAINDOLE COMPOUNDS WITH SUBSTITUTED 6-MEMBERED ARYL AND HETEROARYL RINGS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2019-03-28 WO disclosed