SCHEMBL8087404

SCHEMBL8087404

O=c1cc(C(F)(F)F)n(-c2ccc(S)cc2Cl)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HCAR1 Q9BXC0 3/20 0.33
BCAT2 O15382 3/20 0.33
BCAT1 P54687 3/20 0.33
TLR8 Q9NR97 1/20 0.32
AR P10275 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNMA1 Q12791 1/20 0.30

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
SCHEMBL31442417 0.85 HCAR1 (0.40) KDM4EHTTHCAR1BCAT2BCAT1
SCHEMBL29575271 0.82 BCAT1 (0.36) KDM4EHCAR1BCAT2BCAT1AR
SCHEMBL7245230 0.78 BCAT1 (0.55) BCAT2BCAT1CYP2C9CYP2C19
SCHEMBL8420147 0.74 BCAT2 (0.41) HCAR1BCAT2BCAT1
SCHEMBL8129531 0.73 HCAR1 (0.38) KDM4EHTTHCAR1ARMEN1
SCHEMBL8144284 0.69 LMNA (0.45) HTTHCAR1CYP3A4MAPTTSHR
SCHEMBL7833292 0.69 NOTUM (0.48) HTTMEN1MAPTTSHRCYP2C19
SCHEMBL8578733 0.68 AR (0.34) KDM4EHCAR1BCAT2BCAT1AR
SCHEMBL8574499 0.68 POLB (0.36) HTTHCAR1AR
SCHEMBL8302671 0.67 POLB (0.45) HTTMEN1MAPTKMT2ANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051404-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AG (DE) 2000-11-15 EP disclosed
WO-1999038851-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1999-08-05 WO disclosed