SCHEMBL6003248

SCHEMBL6003248

FC(F)(F)C(F)(F)ONCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRZ1 P23471 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CALM1 P0DP23 1/20 0.37
CES1 P23141 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CA12 O43570 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
SCHEMBL351861 0.83 IDO1 (0.43) IDO1THRBMEN1KMT2ATDP1
SCHEMBL7434026 0.75 CYP3A4 (0.46) IDO1THRBMEN1KMT2ATDP1
SCHEMBL6601395 0.73 HRAS (0.42) IDO1THRBMEN1KMT2ATDP1
SCHEMBL11661655 0.71 IDO1 (0.52) IDO1THRBMEN1KMT2ATDP1
SCHEMBL28493636 0.69 CA2 (0.47) IDO1THRBMEN1KMT2ATDP1
SCHEMBL5450071 0.68 CES1 (0.52) IDO1THRBMAPTALDH1A1CES1
SCHEMBL40001 0.67 IDO1 (0.48) IDO1THRBMEN1KMT2ATDP1
SCHEMBL8252 0.67 CYP3A4 (0.52) IDO1THRBMEN1KMT2ATDP1
SCHEMBL7462800 0.67 GAA (0.44) IDO1THRBMEN1KMT2ATDP1
SCHEMBL206646 0.66 HRAS (0.65) IDO1THRBMEN1KMT2ATDP1

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