SCHEMBL7792898

SCHEMBL7792898

COc1ccc2nc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
TP53 P04637 5/20 0.51
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP2E1 P05181 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL7793505 0.94 CHEK2 (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7786900 0.93 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7792893 0.93 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9278077 0.88 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7786850 0.87 NPC1 (0.53) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7786844 0.86 CHEK2 (0.49) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7793501 0.86 PRMT5 (0.46) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL7786898 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7786842 0.84 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL27906866 0.82 MEN1 (0.53) TP53SMN1; SMN2ALDH1A1MEN1KMT2A

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 4 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 claimed
US-5446059-A Treating or preventing inflammatory or immunoallergic conditions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-29 US claimed
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