SCHEMBL7786844

SCHEMBL7786844

c1ccc(COc2ccc3nc(-c4ccc(C56CC7CC(CC(C7)C5)C6)c(OCc5ccccc5)c4)[nH]c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
LTC4S Q16873 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 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
SCHEMBL7786839 0.93 PRMT5 (0.44) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7793505 0.93 CHEK2 (0.49) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7786900 0.88 PDE4A (0.53) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7792898 0.86 PDE4A (0.53) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7793501 0.85 PRMT5 (0.46) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7786842 0.85 PDE4A (0.47) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL9278077 0.83 PDE4A (0.47) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7786898 0.81 PDE4A (0.47) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7792893 0.79 PDE4A (0.47) CHEK2PDE4APDE4BPDE4CPDE4D
SCHEMBL7786840 0.78 PDE4A (0.42) CHEK2PDE4APDE4BPDE4CPDE4D

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