SCHEMBL20352126

SCHEMBL20352126

CC(C)NCCCS(=O)(=O)N1CCCN(c2ccc(Br)c(NC(=O)c3coc(N)n3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 13/20 0.43
▸ PTGDR Q13258 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ SMYD3 Q9H7B4 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
SCHEMBL21571642 0.98 PAICS (0.45) PAICSPTGDRPOLBSMYD3
SCHEMBL20352151 0.93 PAICS (0.42) PAICSPTGDRPOLB
SCHEMBL20352090 0.89 PAICS (0.54) PAICS
SCHEMBL21571641 0.89 PAICS (0.43) PAICSPTGDRPOLB
SCHEMBL20340329 0.88 PAICS (0.45) PAICSPOLB
SCHEMBL20339064 0.87 PAICS (0.39) PAICSPTGDR
SCHEMBL21571640 0.86 PAICS (0.42) PAICSPOLB
SCHEMBL20339045 0.85 PAICS (0.38) PAICSPTGDR
SCHEMBL21571666 0.85 PAICS (0.41) PAICSSMYD3
SCHEMBL20352066 0.85 PAICS (0.45) PAICS

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
WO-2018122549-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — WO disclosed
Send feedback