SCHEMBL6003160

SCHEMBL6003160

FC(F)(F)Oc1ccc(-c2c[nH][c]n2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.40
ABL1 P00519 1/20 0.36
CES1 P23141 1/20 0.35
FFAR4 Q5NUL3 3/20 0.33
JAK2 O60674 1/20 0.33
EIF4E P06730 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL6001761 0.76 NISCH (0.43) SCN5ASCN9AMAPTMAPK1RECQL
SCHEMBL3631530 0.76 HSP90AA1 (0.44) MAPTMAPK1HSP90AA1HSP90AB1
SCHEMBL3629051 0.73 DHODH (0.35) MAPT
SCHEMBL6002864 0.73 NOTUM (0.34) ABL1SCN5ASCN9A
SCHEMBL6002876 0.72 KMO (0.49)
SCHEMBL1316478 0.69 IDO1 (0.47) MAPTHSP90AA1HSP90AB1
SCHEMBL6003163 0.69 ABL1 (0.53) GPR3ABL1FFAR4JAK2SCN9A
SCHEMBL27926260 0.68 GPR3 (0.49) GPR3FFAR4SCN5AFFAR1CYP2C9
SCHEMBL6003511 0.68
SCHEMBL24985210 0.68 EIF4E (0.47) FFAR4JAK2EIF4ESCN5ASCN9A

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