SCHEMBL24220478

SCHEMBL24220478

Cc1ccc(N2CCN(SCCN3CCN(C)CC3)CC2)cc1NC(=O)c1coc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 9/20 0.49
▸ KCNH2 Q12809 2/20 0.41
▸ HDAC3 O15379 4/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C18 P33260 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CSF1R P07333 2/20 0.38
▸ LYN P07948 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL24220415 0.85 PAICS (0.43) PAICSKCNH2
SCHEMBL24220389 0.81 PAICS (0.39) PAICSKCNH2HDAC3HDAC2
SCHEMBL24220538 0.80 PAICS (0.42) PAICSKCNH2HDAC3HDAC2CYP1A2
SCHEMBL24220398 0.79 PAICS (0.61) PAICSKCNH2HDAC3HDAC2
SCHEMBL20352089 0.79 PAICS (0.49) PAICS
SCHEMBL20352112 0.79 PAICS (0.49) PAICSKCNH2HDAC3HDAC2CYP1A2
SCHEMBL20352034 0.79 PAICS (0.59) PAICS
SCHEMBL24220529 0.78 PAICS (0.49) PAICSKCNH2HDAC3HDAC2CYP1A2
SCHEMBL24220397 0.77 PAICS (0.47) PAICSKCNH2HDAC3HDAC2HTT
SCHEMBL24220411 0.77 PAICS (0.55) 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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