SCHEMBL6000722

SCHEMBL6000722

[CH2]COC(=O)N(c1ccccc1)c1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.44
PTGDR Q13258 6/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2093369 0.84 ATM (0.41) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL2095086 0.82 PTGIR (0.55) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL2093371 0.81 MEN1 (0.43) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2090244 0.78 NPSR1 (0.47) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2092436 0.77 PTGIR (0.40) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL2090242 0.77 NPSR1 (0.45) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2089048 0.74 RIPK1 (0.35) ALDH1A1HTT
SCHEMBL2090618 0.73 PTGIR (0.39) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL2089991 0.73 ATM (0.46) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL2092943 0.72 PTGIR (0.53) PTGIRPTGDRPTGER4PTGER3PTGER2

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