SCHEMBL28068029

SCHEMBL28068029

O=C(O)CCSCCC(F)(F)F.[O-][S+](Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
BHMT Q93088 6/20 0.33

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
SCHEMBL7049566 0.89 LMNA (0.64) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL14029119 0.77 LMNA (0.58) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL15346587 0.75 LMNA (0.37) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL4223263 0.74 BHMT (0.50) LMNAKMT2AHSD17B10TDP1TSHR
Lithium Ion SCHEMBL7047575 0.73 LMNA (0.36) LMNAKMT2AHSD17B10TDP1
SCHEMBL14047289 0.73 LMNA (0.58) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL16659430 0.71 ALDH1A1 (0.38) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL16654415 0.71 KMT2A (0.37) LMNAKMT2AHSD17B10TDP1CYP1A2
E388 SCHEMBL28962323 0.71 LMNA (1.00) LMNAKMT2AHSD17B10TDP1TSHR
E388 SCHEMBL28696 0.71 LMNA (1.00) LMNAKMT2AHSD17B10TDP1TSHR

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-105636444-A Process for preparing pesticidal compounds DOW AGROSCIENCES LLC 2016-06-01 CN disclosed