SCHEMBL8945444

SCHEMBL8945444

NC(=O)Oc1ccc(C(N)COc2noc3ccc(Cl)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
SCN4A P35499 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.34
KCNH2 Q12809 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
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
MAPT P10636 3/20 0.33
SCN5A Q14524 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 2/20 0.32
MEN1 O00255 1/20 0.31

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 SCHEMBL8945073 0.99 FAAH (0.47) FAAHSCN4AALDH1A1KMT2ATHRB
SCHEMBL8945234 0.89 FAAH (0.45) FAAHSCN4AALDH1A1KMT2AKCNH2
Hydrochloric Acid SCHEMBL8945292 0.88 FAAH (0.44) FAAHSCN4AALDH1A1KMT2AKCNH2
SCHEMBL8945013 0.86 FAAH (0.44) FAAHSCN4AALDH1A1CYP1A2KCNH2
SCHEMBL8945162 0.85 FAAH (0.41) FAAHSCN4ACYP1A2SMN1; SMN2TP53
SCHEMBL8944917 0.85 FAAH (0.44) FAAHSCN4AALDH1A1KMT2AKCNH2
Hydrochloric Acid SCHEMBL8945185 0.84 FAAH (0.44) FAAHSCN4AALDH1A1KMT2AKCNH2
SCHEMBL8945252 0.82 SCN4A (0.51) FAAHSCN4AKCNH2SCN5A
SCHEMBL8945141 0.80 FAAH (0.47) FAAHSCN4AALDH1A1KMT2AKCNH2
SCHEMBL8945107 0.79 FAAH (0.49) FAAHALDH1A1KMT2ACYP1A2KCNH2

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