SCHEMBL8119862

SCHEMBL8119862

Fc1ccc(COc2cccc(Oc3csc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.39
MAOB P27338 6/20 0.39
NR4A2 P43354 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8111372 0.92 MMP13 (0.37) MMP13MAOBMMP1MMP2MMP9
SCHEMBL8127025 0.86 LMNA (0.39) MMP13MAOBMMP1MMP2MMP9
SCHEMBL8120819 0.86 POLB (0.36) MMP13MAOBNR4A2PTGS1PTGS2
SCHEMBL8112036 0.85 MAOB (0.41) MMP13MAOBHDAC1HDAC6HDAC5
SCHEMBL8126314 0.85 HDAC6 (0.37) MAOBHDAC1HDAC6HDAC5KDM4E
SCHEMBL8110803 0.85 NUDT1 (0.36) MMP13MMP1MMP2MMP9KDM4E
SCHEMBL8119160 0.84 GRM5 (0.38) MMP13MAOBNR4A2MAOAKDM4E
SCHEMBL8127225 0.79 NUDT1 (0.38) MMP13KDM4ELMNAL3MBTL1
SCHEMBL5548596 0.79 CHRM5 (0.38) MAPK1
SCHEMBL8124547 0.78 MAOB (0.40) MAOBKDM4ELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028959-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 2000-08-23 EP claimed
WO-1999024427-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 1999-05-20 WO claimed
US-5851952-A Herbicidal thienyloxyazines AMERICAN CYANAMID COMPANY (US) 1998-12-22 US claimed
EP-1028959-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 2000-08-23 EP disclosed
WO-1999024427-A1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES AMERICAN CYANAMID COMPANY (US) 1999-05-20 WO disclosed
US-5851952-A Herbicidal thienyloxyazines AMERICAN CYANAMID COMPANY (US) 1998-12-22 US disclosed