SCHEMBL6002972

SCHEMBL6002972

[CH2]OC1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
AOC2 O75106 5/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
DAO P14920 1/20 0.38
DYRK1A Q13627 1/20 0.38
IGF1R P08069 1/20 0.38
HSP90AB1 P08238 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CA2 P00918 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL9374719 0.80 SIGMAR1 (0.44) HPGDTSHRMAOAMAOBAOC2
SCHEMBL11110146 0.74 HPGD (0.48) HPGDTSHRMAOAMAOBAOC2
SCHEMBL28450236 0.73 GABRA1 (0.56) HPGDTSHRMAOAMAOBAOC2
SCHEMBL28450234 0.73 GABRA1 (0.56) HPGDTSHRMAOAMAOBAOC2
SCHEMBL11285607 0.73 HPGD (0.47) HPGDTSHRMAOAMAOBAOC2
SCHEMBL293435 0.72 CHRM2 (0.45) HPGDTSHRHRH3MAOAMAOB
SCHEMBL6808826 0.72 CHRM2 (0.45) HPGDTSHRHRH3MAOAMAOB
SCHEMBL448546 0.72 NISCH (0.44) HPGDTSHRNISCHCA2
SCHEMBL29935960 0.70 MAOB (0.42) HPGDTSHRHRH3MAOAMAOB
SCHEMBL5722720 0.70 MAOB (0.42) HPGDTSHRHRH3MAOAMAOB

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