SCHEMBL8945210

SCHEMBL8945210

NC(COc1noc2ccccc12)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
MAOB P27338 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NQO1 P15559 1/20 0.34
SLC6A2 P23975 3/20 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
SCHEMBL8945061 0.84 FAAH (0.40) FAAHMGLLLMNAMAPTALDH1A1
SCHEMBL8945137 0.80 SCN4A (0.50) FAAHMGLLACHELMNACA12
Hydrochloric Acid SCHEMBL8945236 0.78 FAAH (0.44) FAAHMGLLACHELMNACA12
SCHEMBL8945016 0.76 FAAH (0.56) FAAHMGLLACHELMNACA12
SCHEMBL8945130 0.75 FAAH (0.46) FAAHMGLLACHELMNACA12
SCHEMBL8945307 0.74 FAAH (0.57) FAAHMGLLACHELMNACA12
SCHEMBL8945200 0.74 FAAH (0.50) FAAHMGLLACHELMNACA12
SCHEMBL8945065 0.74 FAAH (0.54) FAAHMGLLACHELMNACA12
SCHEMBL8944958 0.74 FAAH (0.53) FAAHMGLLACHELMNACA12
SCHEMBL8945343 0.73 FAAH (0.47) FAAHMGLLACHENQO1MAPT

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