SCHEMBL6002876

SCHEMBL6002876

FC(F)(F)Oc1ccc(-c2c[nH][c]n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
GRIN2B Q13224 6/20 0.44
SLC1A5 Q15758 2/20 0.37
NOTUM Q6P988 1/20 0.37
S100A9 P06702 1/20 0.36
GRM2 Q14416 1/20 0.35
PDE3A Q14432 1/20 0.35
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 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
SCHEMBL6002651 0.81 KMO (0.46) KMO
SCHEMBL17626110 0.77 AHR (0.46) KMONOTUM
SCHEMBL6001761 0.76 NISCH (0.43) NOTUM
SCHEMBL5535439 0.75 KMO (0.49) KMOGRIN2BSLC1A5NOTUMGRM2
SCHEMBL6002864 0.73 NOTUM (0.34) NOTUM
SCHEMBL6003160 0.72 GPR3 (0.40)
SCHEMBL5537301 0.72 KMO (0.52) KMOGRIN2BSLC1A5NOTUMGRM2
SCHEMBL14742275 0.71 KMO (0.68) KMOGRIN2B
SCHEMBL5545853 0.71 KMO (0.53) KMOGRIN2BSLC1A5GRM2
SCHEMBL6002878 0.70 MRGPRX4 (0.53) KMOGRIN2BGRM2

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