SCHEMBL30542648

SCHEMBL30542648

CC(Sc1nc2c(c(Nc3ccc(C#N)cc3)n1)SCC2)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.50
▸ PDE4D Q08499 12/20 0.50
▸ ALDH1A1 P00352 1/20 0.37
▸ PTGES O14684 3/20 0.37
▸ ALOX5 P09917 3/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ SYK P43405 1/20 0.35
▸ LMNA P02545 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
SCHEMBL29056255 1.00 PDE4B (0.50) PDE4BPDE4DALDH1A1PTGESALOX5
SCHEMBL30542649 0.90 PDE4B (0.47) PDE4BPDE4DALDH1A1PTGESALOX5
SCHEMBL29056287 0.90 PDE4B (0.47) PDE4BPDE4DALDH1A1PTGESALOX5
SCHEMBL30542636 0.88 PDE4B (0.50) PDE4BPDE4DPTGESALOX5PPARG
SCHEMBL30542629 0.82 PDE4B (0.50) PDE4BPDE4DPPARAKDM4E
SCHEMBL29056200 0.82 PDE4B (0.50) PDE4BPDE4DPPARAKDM4E
SCHEMBL29056230 0.82 PDE4B (0.41) PDE4BPDE4DPTGESALOX5PPARG
SCHEMBL29056216 0.82 PDE4B (0.56) PDE4BPDE4DPPARGPPARA
SCHEMBL30542663 0.82 PDE4B (0.56) PDE4BPDE4DPPARGPPARA
SCHEMBL29056268 0.80 PDE4B (0.54) PDE4BPDE4DKDM4ESYK

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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