SCHEMBL8945234

SCHEMBL8945234

NC(=O)Oc1cccc(C(N)COc2noc3ccc(Cl)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
KMT2A Q03164 5/20 0.36
MEN1 O00255 2/20 0.36
SCN4A P35499 5/20 0.36
ALDH1A1 P00352 2/20 0.36
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 1/20 0.35
RPS6KB1 P23443 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
AURKA O14965 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ3 P48549 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 SCHEMBL8945292 0.99 FAAH (0.44) FAAHKMT2AMEN1SCN4AALDH1A1
SCHEMBL8945444 0.89 FAAH (0.47) FAAHKMT2AMEN1SCN4AALDH1A1
Hydrochloric Acid SCHEMBL8945073 0.88 FAAH (0.47) FAAHKMT2AMEN1SCN4AALDH1A1
SCHEMBL8945277 0.88 KMT2A (0.40) FAAHKMT2AMEN1SCN4AKCNH2
SCHEMBL8944957 0.87 FAAH (0.41) FAAHKMT2AMEN1SCN4AALDH1A1
SCHEMBL8945002 0.83 FAAH (0.42) FAAHKMT2ASCN4AALDH1A1KCNH2
Hydrochloric Acid SCHEMBL8945257 0.83 FAAH (0.41) FAAHKMT2ASCN4AALDH1A1KCNH2
SCHEMBL8945252 0.82 SCN4A (0.51) FAAHSCN4AKCNH2SCN5A
SCHEMBL8944917 0.78 FAAH (0.44) FAAHKMT2AMEN1SCN4AALDH1A1
SCHEMBL8945192 0.77 FAAH (0.40) FAAHSCN4AKCNH2SCN5AKDM4E

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