SCHEMBL24220389

SCHEMBL24220389

C=CSN1CCN(c2ccc(C)c(NC(=O)c3coc(N)n3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 14/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ NTRK1 P04629 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35

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
SCHEMBL24220538 0.84 PAICS (0.42) PAICSKCNH2HDAC3HDAC2
SCHEMBL24220397 0.81 PAICS (0.47) PAICSKCNH2HDAC3HDAC2
SCHEMBL24220478 0.81 PAICS (0.49) PAICSKCNH2HDAC3HDAC2
SCHEMBL24220415 0.81 PAICS (0.43) PAICSKCNH2
SCHEMBL24220398 0.75 PAICS (0.61) PAICSKCNH2HDAC3HDAC2
SCHEMBL20352112 0.75 PAICS (0.49) PAICSKCNH2HDAC3HDAC2
SCHEMBL24220529 0.75 PAICS (0.49) PAICSKCNH2HDAC3HDAC2
SCHEMBL21571629 0.74 PAICS (0.48) PAICSKCNH2HDAC3HDAC2
SCHEMBL20352101 0.74 PAICS (0.49) PAICS
SCHEMBL20352089 0.74 PAICS (0.49) 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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