SCHEMBL9812673

SCHEMBL9812673

COc1c(-c2ccccc2)c(-c2ccccc2)c(O)c2ccn(C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 6/20 0.51
▸ PDE4A P27815 5/20 0.51
▸ PDE4C Q08493 5/20 0.51
▸ PDE4D Q08499 5/20 0.51
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.37
▸ GAA P10253 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 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
SCHEMBL9812619 0.77 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL9656953 0.72 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL9812668 0.71 CTSV (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29244761 0.66 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5382294 0.66 MAPT (0.53) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL12181771 0.66 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL11776875 0.65 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL27980917 0.64 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL22081628 0.63 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL21384700 0.63 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146348-B1 SUBSTITUTED NAPHTHALENES, INDOLES, BENZOFURANS AND BENZOTHIOPHENES AS LIPOXYGENASE INHIBITORS THE UPJOHN COMPANY (US) 1991-07-31 — — EP claimed
EP-0146348-A2 Substituted naphthalenes, indoles, benzofurans and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1985-06-26 — — EP claimed
EP-0146348-B1 SUBSTITUTED NAPHTHALENES, INDOLES, BENZOFURANS AND BENZOTHIOPHENES AS LIPOXYGENASE INHIBITORS THE UPJOHN COMPANY (US) 1991-07-31 — — EP disclosed
US-4737519-A Substituted naphthalenes, indoles, benzofurans, and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1988-04-12 — — US disclosed
EP-0146348-A2 Substituted naphthalenes, indoles, benzofurans and benzothiophenes as lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1985-06-26 — — EP disclosed
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