SCHEMBL6002864

SCHEMBL6002864

FC(F)(F)Oc1cc(OC(F)(F)F)cc(-c2c[nH][c]n2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
TRPA1 O75762 4/20 0.33
XDH P47989 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
USP7 Q93009 1/20 0.32
METAP2 P50579 1/20 0.32
PGR P06401 2/20 0.32
GRM5 P41594 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NISCH Q9Y2I1 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL6001761 0.83 NISCH (0.43) NOTUMSCN5ASCN9ANISCHKCNH2
SCHEMBL6002876 0.73 KMO (0.49) NOTUM
SCHEMBL6003160 0.73 GPR3 (0.40) SCN5ASCN9AABL1
SCHEMBL6002991 0.73 XDH (0.40) XDHUSP7GRM5PDE10AKCNH2
SCHEMBL6003131 0.71 NISCH (0.32) NOTUMSCN5ANISCH
SCHEMBL4049874 0.71 NOTUM (0.34) NOTUMNISCH
SCHEMBL6002382 0.69 ALDH1A1 (0.36) XDHGRM5KCNH2SCN10A
SCHEMBL2045586 0.69
SCHEMBL4049982 0.67 KIF11 (0.44) NOTUMNISCH
SCHEMBL4047980 0.66 DRD1 (0.44) KCNH2

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed