SCHEMBL8900530

SCHEMBL8900530

Oc1ccccc1-c1nc2c(-c3ccccc3O)cccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.74
MGAM O43451 9/20 0.74
SI P14410 8/20 0.74
MGAM2 Q2M2H8 8/20 0.74
PDE5A O76074 1/20 0.62
F7 P08709 1/20 0.60
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
IDO1 P14902 1/20 0.55
RECQL P46063 1/20 0.55
TDO2 P48775 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
PTGES O14684 1/20 0.49

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
SCHEMBL28067691 0.91 GAA (0.77) GAAMGAMSIMGAM2PDE5A
SCHEMBL28067649 0.90 GAA (0.74) GAAMGAMSIMGAM2PDE5A
SCHEMBL11199113 0.85 MGAM (1.00) GAAMGAMSIMGAM2PDE5A
SCHEMBL31049691 0.79 GAA (0.64) GAAMGAMSIMGAM2PDE5A
SCHEMBL27719925 0.79 GAA (0.60) GAAMGAMSIMGAM2PDE5A
SCHEMBL461968 0.79 F7 (0.79) GAAMGAMSIMGAM2PDE5A
SCHEMBL29578227 0.79 F7 (0.79) GAAMGAMSIMGAM2PDE5A
SCHEMBL8624096 0.77 F7 (0.77) GAAMGAMSIMGAM2PDE5A
SCHEMBL7430084 0.77 PDE5A (1.00) GAAMGAMSIMGAM2PDE5A
SCHEMBL9718865 0.76 GAA (0.65) GAAMGAMSIMGAM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5412059-A Endcapping, molecular weight control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 US claimed
US-5637670-A DIHYDROXYPHENYLBENZIMIDAZOLE POLYETHERS OR COMPOUNDS; USEFUL AS ADHESIVES, COATINGS, FILMS, FIBERS, MOLDINGS AND COMPOSITE MATRICES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR, NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-06-10 US disclosed
US-5412059-A Endcapping, molecular weight control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 US disclosed
US-5317078-A Lower glass transition temperature and improved solvent solubility of polyether molding materials of macrocyclic monomers polymerized using an alkali basic catalyst and solvent; films THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1994-05-31 US disclosed
US-5317078-A Lower glass transition temperature and improved solvent solubility of polyether molding materials of macrocyclic monomers polymerized using an alkali basic catalyst and solvent; films THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1994-05-31 US disclosed
US-5245044-A Di(hydroxyphenyl)-benzimidazole monomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-09-14 US disclosed
US-5245044-A Di(hydroxyphenyl)-benzimidazole monomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-09-14 US disclosed
US-5245044-A Di(hydroxyphenyl)-benzimidazole monomers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1993-09-14 US disclosed