SCHEMBL20846196

SCHEMBL20846196

CC(=O)c1ccccc1-c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
SLC6A4 P31645 5/20 0.46
PBRM1 Q86U86 1/20 0.46
MAP3K14 Q99558 1/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
MAPT P10636 1/20 0.43
CDK2 P24941 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6879221 0.82 PBRM1 (0.54) HTR6SLC6A4PBRM1SLC6A2SLC6A3
SCHEMBL13323651 0.80 HTR6 (0.63) HTR6SLC6A4MAP3K14SLC6A2SLC6A3
SCHEMBL20846158 0.80 HTR6 (0.51) HTR6SLC6A4MAP3K14SLC6A2SLC6A3
SCHEMBL20846145 0.79 CYP2C9 (0.49)
SCHEMBL20846198 0.79 SLC6A4 (0.48) HTR6SLC6A4MAP3K14SLC6A2SLC6A3
SCHEMBL27556809 0.79 CDK2 (0.50) HTR6SLC6A4MAP3K14SLC6A2SLC6A3
SCHEMBL20846147 0.78 HTR6 (0.52) HTR6SLC6A4MAP3K14SLC6A2SLC6A3
SCHEMBL20846094 0.77 HTR6 (0.46) HTR6SLC6A4MAP3K14SLC6A2SLC6A3
SCHEMBL20846161 0.77 HTR6 (0.51) HTR6SLC6A4MAP3K14SLC6A2SLC6A3
SCHEMBL20846152 0.77 HTR6 (0.51) HTR6SLC6A4MAP3K14SLC6A2SLC6A3

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