SCHEMBL20846262

SCHEMBL20846262

N#Cc1ccc2[nH]cc(-c3ccccc3SC(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
MAP3K14 Q99558 1/20 0.44
SLC6A4 P31645 5/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
CCNK O75909 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK12 Q9NYV4 1/20 0.38

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 0.83 HTR6 (0.48) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL28099154 0.83 SLC6A4 (0.46) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL20839263 0.81 HTR6 (0.48) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL20846191 0.80 SLC6A4 (0.45) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL13323651 0.79 HTR6 (0.63) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL20846154 0.79 PIM1 (0.52) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL20846152 0.79 HTR6 (0.51) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL20846297 0.78 HTR6 (0.45) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL20846190 0.78 HTR6 (0.45) HTR6MAP3K14SLC6A4SLC6A2SLC6A3
SCHEMBL20846147 0.77 HTR6 (0.52) HTR6MAP3K14SLC6A4SLC6A2SLC6A3

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