SCHEMBL5016362

SCHEMBL5016362

[O]c1cc(N2CCN(Cc3ccc(C(F)(F)C(F)(F)F)cc3)CC2)c2ncsc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
SRPK1 Q96SB4 12/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL5016368 0.88 CASP1 (0.38) CASP1CASP4CASP5SRPK1LMNA
SCHEMBL2091003 0.84 RPS6KB1 (0.38) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2093719 0.78 LIPG (0.36)
SCHEMBL5012794 0.78 SCD (0.48) LMNAKDM4EALDH1A1
SCHEMBL27644470 0.76 DRD2 (0.43) LMNASMN1; SMN2KDM4EALDH1A1DRD2
SCHEMBL2091008 0.72 RPS6KB1 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL5542057 0.71 PPARD (0.50) CASP1CASP4CASP5KDM4EALDH1A1
SCHEMBL5013426 0.71 RBP4 (0.40) LMNASMN1; SMN2KDM4EALDH1A1DRD2
SCHEMBL27665953 0.69 KDM4E (0.52) LMNASMN1; SMN2KDM4EALDH1A1DRD2
SCHEMBL5015139 0.69 PPARD (0.43) SMN1; SMN2KDM4EALDH1A1DRD2DRD4

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