SCHEMBL5212928

SCHEMBL5212928

Cc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccsc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FFAR4 Q5NUL3 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 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
SCHEMBL5215907 0.85 MAPT (0.48) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5213114 0.83 MAPT (0.46) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL8120409 0.81 NTRK1 (0.38) NPC1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5212887 0.80 MAPT (0.42) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5211924 0.75 SCN9A (0.39) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL7470521 0.74 ADORA2A (0.41) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL8121568 0.74 LMNA (0.34) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5216916 0.73 DYRK3 (0.39) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5214209 0.71 S1PR1 (0.38) MAPTMAPK1FFAR4LMNAADORA3
SCHEMBL5215091 0.71 L3MBTL1 (0.33) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19

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-B1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES BASF AG (DE) 2007-06-27 EP claimed
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
EP-1028959-B1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES BASF AG (DE) 2007-06-27 EP disclosed
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