SCHEMBL5215907

SCHEMBL5215907

Cc1cc(Oc2csc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MAPK1 P28482 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
FFAR4 Q5NUL3 2/20 0.42
SCN9A Q15858 3/20 0.39
FPR2 P25090 2/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34

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
SCHEMBL5213114 0.93 MAPT (0.46) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5211924 0.91 SCN9A (0.39) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5211896 0.89 MAPK1 (0.47) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5216916 0.88 DYRK3 (0.39) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5214209 0.87 S1PR1 (0.38) MAPTMAPK1FFAR4SCN9AFPR2
SCHEMBL5216921 0.85 ADORA3 (0.40) MAPTMAPK1SCN9AFPR2POLB
SCHEMBL5214412 0.85 MAPT (0.45) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5212928 0.85 MAPT (0.44) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5212566 0.82 MAPT (0.43) MAPTMAPK1L3MBTL1MEN1CYP1A2
SCHEMBL5212887 0.81 MAPT (0.42) MAPTMAPK1L3MBTL1MEN1CYP1A2

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 4 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
US-6121202-A 2-((THIENYL OR FURYL) (OXY OR THIO))-PYRIDINE AND 6-((THIENYL OR FURYL) (OXY OR THIO))-PYRIMIDINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-09-19 US claimed
EP-1028959-B1 HERBICIDAL FURANYL- AND THIENYLOXYAZINES BASF AG (DE) 2007-06-27 EP disclosed
US-6121202-A 2-((THIENYL OR FURYL) (OXY OR THIO))-PYRIDINE AND 6-((THIENYL OR FURYL) (OXY OR THIO))-PYRIMIDINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-09-19 US disclosed