SCHEMBL11280221

SCHEMBL11280221

CNC(=N)NC(=N)N(C)c1c(C)cccc1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
S1PR4 O95977 2/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11257031 0.85 SCN4A (0.37) SCN4ASIGMAR1S1PR4ALDH1A1MAPT
SCHEMBL11280937 0.83 SCN4A (0.38) SCN4ASIGMAR1S1PR4ALDH1A1MAPT
SCHEMBL11280191 0.81 SCN4A (0.35) SCN4ASIGMAR1S1PR4ALDH1A1MAPT
SCHEMBL11255220 0.78 POLB (0.42) SCN4AS1PR4ALDH1A1MAPT
SCHEMBL11266545 0.76 SCN4A (0.34) SCN4ASIGMAR1S1PR4ALDH1A1MAPT
SCHEMBL11260870 0.75 POLB (0.35) SCN4AS1PR4
SCHEMBL11286853 0.73 SCN4A (0.38) SCN4AS1PR4ALDH1A1MAPTLMNA
SCHEMBL14868476 0.73 ALDH1A1 (0.34) SIGMAR1ALDH1A1MAPTLMNA
SCHEMBL11255033 0.73 TSHR (0.42) SCN4AS1PR4ALDH1A1MAPTLMNA
SCHEMBL11558131 0.71 SCN4A (0.39) SCN4AS1PR4ALDH1A1MAPTLMNA

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
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-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed