SCHEMBL7792844

SCHEMBL7792844

c1ccc(COc2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.44
PRMT5 O14744 10/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE5A O76074 1/20 0.41
TRPV6 Q9H1D0 1/20 0.39
CBFB Q13951 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9278077 0.88 PDE4A (0.47) PRMT5PDE4APDE4BPDE4CPDE4D
SCHEMBL7792849 0.85 PDE4A (0.40) DHODHPRMT5PDE4APDE4BPDE4C
SCHEMBL7793501 0.83 PRMT5 (0.46) PRMT5PDE4APDE4BPDE4CPDE4D
SCHEMBL7793505 0.83 CHEK2 (0.49) PRMT5PDE4APDE4BPDE4CPDE4D
SCHEMBL7792898 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7792893 0.81 PDE4A (0.47) PRMT5PDE4APDE4BPDE4CPDE4D
SCHEMBL7786900 0.77 PDE4A (0.53) PRMT5PDE4APDE4BPDE4CPDE4D
SCHEMBL7786898 0.77 PDE4A (0.47) PRMT5PDE4APDE4BPDE4CPDE4D
SCHEMBL7786844 0.76 CHEK2 (0.49) PRMT5PDE4APDE4BPDE4CPDE4D
SCHEMBL7786839 0.76 PRMT5 (0.44) PRMT5PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643701-B1 BENZIMIDAZOLE-DERIVED COMPOUNDS, METHOD FOR PREPARING SAME, AND THERAPEUTICAL AND COSMETIC USES THEREOF CT INTERNAT DE RECH S BR DERMA (FR) 2001-12-05 EP disclosed
US-5446059-A Treating or preventing inflammatory or immunoallergic conditions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-29 US disclosed