SCHEMBL8944917

SCHEMBL8944917

NC(COc1noc2ccc(Cl)cc12)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
SCN4A P35499 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
MGAM O43451 2/20 0.34
TACR1 P25103 1/20 0.33
CYP19A1 P11511 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 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
Hydrochloric Acid SCHEMBL8945185 0.99 FAAH (0.44) FAAHSCN4AALDH1A1KMT2AMEN1
SCHEMBL8945252 0.88 SCN4A (0.51) FAAHSCN4AKCNH2SCN5ATACR1
SCHEMBL8945002 0.87 FAAH (0.42) FAAHSCN4AALDH1A1KMT2AKCNH2
SCHEMBL8945013 0.87 FAAH (0.44) FAAHSCN4AALDH1A1MAPTKCNH2
Hydrochloric Acid SCHEMBL8945257 0.86 FAAH (0.41) FAAHSCN4AALDH1A1KMT2AKCNH2
SCHEMBL8945141 0.85 FAAH (0.47) FAAHSCN4AALDH1A1KMT2AMAPT
SCHEMBL8945444 0.85 FAAH (0.47) FAAHSCN4AALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL8945073 0.84 FAAH (0.47) FAAHSCN4AALDH1A1KMT2AMEN1
SCHEMBL8945130 0.83 FAAH (0.46) FAAHSCN4AESR1ESR2MGAM
SCHEMBL8945192 0.81 FAAH (0.40) FAAHSCN4AKCNH2SCN5ACYP19A1

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