SCHEMBL6002783

SCHEMBL6002783

O=C(Nc1ccccc1)C1CNCCC[N]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.47
HPGD P15428 1/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
F10 P00742 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TOP2A P11388 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL11860109 0.91 JAK3 (0.46) JAK3HPGDPOLBALDH1A1DPP4
SCHEMBL7293005 0.80 HPGD (0.56) HPGDPOLBALDH1A1GAAMAPT
SCHEMBL8087086 0.79 HPGD (0.58) HPGDPOLBALDH1A1GAAMAPT
SCHEMBL1318166 0.75 HPGD (0.66) JAK3HPGDPOLBDPP4GAA
SCHEMBL2446479 0.75 HPGD (0.66) JAK3HPGDPOLBDPP4GAA
SCHEMBL1318173 0.75 HPGD (0.66) JAK3HPGDPOLBDPP4GAA
Hydrochloric Acid SCHEMBL4033476 0.74 HPGD (0.64) JAK3HPGDPOLBDPP4GAA
SCHEMBL2917294 0.73 CHRNB2 (0.38) MAPTKMT2A
SCHEMBL2913439 0.72 SLC6A1 (0.45) MAPTKMT2A
SCHEMBL3561522 0.72 KMT2A (0.46) POLBALDH1A1GAAMAPTMEN1

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