SCHEMBL27393197

SCHEMBL27393197

CCCc1ccc(N)cc1CCC.N[SH](=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.38
ACHE P22303 1/20 0.37
GAA P10253 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
CASP1 P29466 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
GFER P55789 1/20 0.33
SRC P12931 1/20 0.32
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL4576433 0.90 PRKCI (0.44) PRKCIACHEGAAMAPTHTT
SCHEMBL5377939 0.88 PRKCI (0.42) PRKCIACHEGAAMAPTHTT
SCHEMBL15835001 0.86 PRKCI (0.41) PRKCIACHEGAAMAPTHTT
Nitrogen SCHEMBL27541271 0.86 PRKCI (0.41) PRKCIACHEGAAMAPTHTT
SCHEMBL13886946 0.86 PRKCI (0.41) PRKCIACHEGAAMAPTHTT
Ethylene SCHEMBL28814454 0.86 PRKCI (0.41) PRKCIACHEGAAMAPTHTT
Alcohol SCHEMBL28761735 0.84 PRKCI (0.44) PRKCIACHEGAAMAPTHTT
SCHEMBL25144469 0.82 TYR (0.44) PRKCIACHEGAAMAPTHTT
SCHEMBL3802318 0.82 GAA (0.48) PRKCIACHEGAAMAPTHTT
SCHEMBL28490307 0.81 TAAR1 (0.41) PRKCIGAAMAPTHTTTSHR

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
CN-1094569-A The herbicidal composition and the herbicidal methods thereof that are used for mountain farming NIHON NOHYAKU CO LTD (JP) 1994-11-09 CN disclosed