SCHEMBL24220491

SCHEMBL24220491

CC(C)NCC[S+]([O-])N1CCN(c2ccc(Br)c(NC(=O)c3coc(N)n3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 17/20 0.42
▸ CCR5 P51681 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL24220414 0.91 PAICS (0.52) PAICS
SCHEMBL24220473 0.89 PAICS (0.38) PAICSCCR5KCNH2
SCHEMBL20352153 0.88 PAICS (0.43) PAICSKCNH2
SCHEMBL24220536 0.87 PAICS (0.43) PAICS
SCHEMBL20352120 0.86 PAICS (0.49) PAICSKCNH2
SCHEMBL20352094 0.85 PAICS (0.37) PAICSCCR5KCNH2
SCHEMBL20352062 0.84 PAICS (0.38) PAICS
SCHEMBL20352151 0.84 PAICS (0.42) PAICS
SCHEMBL20352056 0.83 PAICS (0.39) PAICSCCR5KCNH2
SCHEMBL21571642 0.83 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
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 — — EP disclosed
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