SCHEMBL8945316

SCHEMBL8945316

NC(COc1noc2ccc(Cl)cc12)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.53
FAAH O00519 1/20 0.42
AKT1 P31749 7/20 0.40
ROCK1 Q13464 2/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 1/20 0.40
PRKACA P17612 2/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
ACHE P22303 1/20 0.38
CHUK O15111 1/20 0.38
ROCK2 O75116 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT2 P31751 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PRKCD Q05655 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL8945264 0.85 FAAH (0.48) SCN4AFAAHAKT1ROCK1PRKACA
SCHEMBL8945252 0.83 SCN4A (0.51) SCN4AFAAHKCNH2SCN5AACHE
SCHEMBL8945047 0.83 FAAH (0.46) SCN4AFAAHKCNH2SCN5A
SCHEMBL8945126 0.83 FAAH (0.48) SCN4AFAAHKCNH2SCN5A
SCHEMBL8945327 0.83 FAAH (0.45) SCN4AFAAHKCNH2SCN5A
SCHEMBL8945123 0.83 FAAH (0.48) SCN4AFAAHKCNH2SCN5A
SCHEMBL8945066 0.83 FAAH (0.48) SCN4AFAAHKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945297 0.81 FAAH (0.47) SCN4AFAAHKCNH2SCN5A
Hydrochloric Acid SCHEMBL8945091 0.81 FAAH (0.47) SCN4AFAAHKCNH2SCN5A
SCHEMBL8945005 0.81 FAAH (0.46) SCN4AFAAHKCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed