SCHEMBL5011886

SCHEMBL5011886

CN(Cc1cs[c]n1)Cc1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2094354 0.82 RIPK1 (0.33) RIPK1
SCHEMBL2093180 0.79
SCHEMBL2092301 0.79 RIPK1 (0.38) RIPK1
SCHEMBL933217 0.73
SCHEMBL2095816 0.71 S1PR1 (0.33)
SCHEMBL2093113 0.70 PYCR1 (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2098322 0.70 PYCR1 (0.48) ALDH1A1
SCHEMBL2097209 0.69 PYCR1 (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2089879 0.68 PYCR1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL17604503 0.68 HRH3 (0.34) KDM4EALDH1A1

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