SCHEMBL11277145

SCHEMBL11277145

CN(C(=N)N)C(=O)Nc1ccc(O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
APEX1 P27695 1/20 0.41
TOP1 P11387 2/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALOX15 P16050 3/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLH Q9Y253 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL11269188 0.84 TOP1 (0.36) SNCAAPEX1TOP1CA1CA2
SCHEMBL14868381 0.84 SNCA (0.37) SNCATOP1ERCC1ERCC4CA1
SCHEMBL11276328 0.83 SNCA (0.41) SNCAAPEX1TOP1ERCC1ERCC4
SCHEMBL8349054 0.74 KDM4E (0.46) SNCAAPEX1TOP1ERCC1ERCC4
SCHEMBL6222775 0.74 PEPD (0.59) SNCATOP1ERCC1ERCC4ALOX15
SCHEMBL11596366 0.74 SNCA (0.44) SNCATOP1ERCC1ERCC4ALOX15
SCHEMBL6692568 0.72 SNCA (0.49) SNCATOP1ERCC1ERCC4ALOX15
SCHEMBL11275768 0.72 PYGL (0.49) SNCATOP1ERCC1ERCC4ALOX15
Hydrochloric Acid SCHEMBL11594293 0.72 SNCA (0.43) SNCATOP1ERCC1ERCC4ALOX15
SCHEMBL11265563 0.72 PYGL (0.46) SNCAAPEX1TOP1ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed