SCHEMBL24220397

SCHEMBL24220397

Cc1ccc(N2CCN(SC3CCNCC3)CC2)cc1NC(=O)c1coc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 15/20 0.47
▸ SMYD3 Q9H7B4 1/20 0.41
▸ KCNH2 Q12809 2/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24220531 0.82 PAICS (0.54) PAICS
SCHEMBL24220389 0.81 PAICS (0.39) PAICSKCNH2HDAC3HDAC2
SCHEMBL24220538 0.81 PAICS (0.42) PAICSKCNH2HDAC3HDAC2
SCHEMBL24220415 0.79 PAICS (0.43) PAICSKCNH2
SCHEMBL24220478 0.77 PAICS (0.49) PAICSKCNH2HDAC3HDAC2HTT
SCHEMBL20352082 0.77 PAICS (0.51) PAICSKCNH2HDAC3HDAC1HDAC2
SCHEMBL20352118 0.76 PAICS (0.54) PAICSKCNH2HDAC3HDAC1HDAC2
SCHEMBL20352035 0.76 PAICS (0.67) PAICSKCNH2HDAC3HDAC1HDAC2
SCHEMBL20339051 0.75 PAICS (0.55) PAICS
SCHEMBL20339057 0.75 PAICS (0.53) PAICSKCNH2HDAC3HDAC1HDAC2

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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