SCHEMBL20352121

SCHEMBL20352121

CN1CCC(NCCSN2CCN(c3ccc(Br)c(NCc4coc(N)n4)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 1/20 0.36
▸ HTR6 P50406 6/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ TNK2 Q07912 1/20 0.30

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
SCHEMBL20352034 0.77 PAICS (0.59) PAICS
SCHEMBL24220558 0.70 SMYD3 (0.33) HTR6MAPT
SCHEMBL20352120 0.69 PAICS (0.49) PAICS
SCHEMBL21571665 0.69 PAICS (0.49) PAICS
SCHEMBL20352138 0.68 — —
SCHEMBL21579053 0.65 PAICS (0.74) PAICS
SCHEMBL24220529 0.64 PAICS (0.49) PAICSHTR2A
SCHEMBL24220472 0.62 PAICS (0.58) PAICS
SCHEMBL20352032 0.62 PAICS (0.58) PAICS
SCHEMBL20350506 0.62 PAICS (0.44) PAICSMAPT

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
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