SCHEMBL6003085

SCHEMBL6003085

[CH2]COC(=O)N(c1ccccc1)c1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.39
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR Q13258 4/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL2089002 0.84 ATM (0.40) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL2089007 0.81 PTGIR (0.41) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL2091321 0.79 NPSR1 (0.45) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL6002255 0.78 RXRA (0.39) POLBKMT2AALDH1A1HTTATM
SCHEMBL2091316 0.77 NPSR1 (0.44) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL2092436 0.76 PTGIR (0.40) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL2091588 0.76 PTGIR (0.47) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL2090175 0.75 ALDH1A1 (0.45) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL2090016 0.75 POLQ (0.41) PTGIRNPSR1POLBKMT2ANPC1
SCHEMBL27296911 0.75 NPSR1 (0.46) PTGIRNPSR1POLBKMT2ANPC1

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