SCHEMBL6979611

SCHEMBL6979611

Cc1c(C(F)(F)F)cnn(-c2cc(N)c(Cl)cc2F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
COMT P21964 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
NPBWR1 P48145 3/20 0.31
MCHR1 Q99705 3/20 0.31
CCR1 P32246 2/20 0.31
GRM2 Q14416 1/20 0.31
AR P10275 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8570147 0.86 GAA (0.33) GAAATMCOMTNPC1RAB9A
SCHEMBL4678151 0.85 COMT (0.40) GAAATMCOMTNPC1RAB9A
SCHEMBL4677779 0.83 PPOX (0.43) RAB9ANPBWR1MCHR1
SCHEMBL27413652 0.83 DHODH (0.35) GAAATMCOMTNPC1RAB9A
SCHEMBL31448215 0.82 NOTUM (0.37) COMTCCR1
SCHEMBL4681846 0.82 NOTUM (0.37) COMTCCR1
SCHEMBL4679803 0.81 PPOX (0.44) GAANPBWR1MCHR1
SCHEMBL31442437 0.81 PPOX (0.44) GAANPBWR1MCHR1
SCHEMBL4678823 0.81 PPOX (0.43) GAANPBWR1MCHR1GRM2
SCHEMBL5843735 0.80 HTT (0.45) GAANPC1RAB9APAX8NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200428-B1 SUBSTITUTED BENZOXAZOLES BASF AG (DE) 2003-04-16 EP disclosed
EP-1200428-A1 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-05-02 EP disclosed
WO-2001012625-A2 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed