SCHEMBL30542622

SCHEMBL30542622

N#Cc1ccc(Nc2nc(SC3(C(=O)O)CCC3)nc3c2SCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 13/20 0.51
▸ PDE4D Q08499 13/20 0.51
▸ SLC22A12 Q96S37 6/20 0.42
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29056209 1.00 PDE4B (0.51) PDE4BPDE4DSLC22A12KDM4E
SCHEMBL30542620 0.87 PDE4B (0.46) PDE4BPDE4DKDM4E
SCHEMBL29056235 0.87 PDE4B (0.46) PDE4BPDE4DKDM4E
SCHEMBL29056289 0.83 SLC22A12 (0.41) PDE4BPDE4DSLC22A12KDM4E
SCHEMBL30542631 0.83 SLC22A12 (0.41) PDE4BPDE4DSLC22A12KDM4E
SCHEMBL30542648 0.81 PDE4B (0.50) PDE4BPDE4DKDM4E
SCHEMBL29056255 0.81 PDE4B (0.50) PDE4BPDE4DKDM4E
SCHEMBL29056216 0.81 PDE4B (0.56) PDE4BPDE4D
SCHEMBL30542663 0.81 PDE4B (0.56) PDE4BPDE4D
SCHEMBL29056291 0.79 ABCG2 (0.52) SLC22A12KDM4E

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
CN-116640095-A Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof 山东大学 2023-08-25 — — CN disclosed
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