SCHEMBL5013395

SCHEMBL5013395

[O]c1c(N2CCN(Cc3ccc(Cl)cc3)CC2)ccc2scnc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.41
DRD4 P21917 4/20 0.40
LSS P48449 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 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
SCHEMBL5016095 0.89 ALDH1A1 (0.43) MEN1KMT2AMAPTDRD4ALDH1A1
SCHEMBL5013401 0.86 MEN1 (0.47) MEN1KMT2ASIGMAR1MAPTDRD4
SCHEMBL2092375 0.83 RPS6KB1 (0.43) MAPTDRD4ALDH1A1HTTSMN1; SMN2
SCHEMBL5013349 0.76 KCNN4 (0.46) DRD4ALDH1A1KDM4EDRD2DRD3
SCHEMBL5016096 0.75 ALDH1A1 (0.43) MEN1KMT2ADRD4ALDH1A1KDM4E
SCHEMBL27645249 0.75 MEN1 (0.48) MEN1KMT2ASIGMAR1MAPTDRD4
SCHEMBL5013394 0.71 DRD2 (0.36) MEN1KMT2ASIGMAR1DRD4DRD2
SCHEMBL2092675 0.71 MAPT (0.37) MAPTKDM4EHTTSMN1; SMN2
SCHEMBL27645184 0.71 DRD2 (0.48) MAPTDRD4DRD2DRD3
SCHEMBL2092379 0.69 RPS6KB1 (0.43) MAPTDRD4ALDH1A1HTTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed