SCHEMBL8945505

SCHEMBL8945505

CS(=O)(=O)CC(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
KAT6A Q92794 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV4 Q9HBA0 2/20 0.33
SCN9A Q15858 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 1/20 0.33
BRD4 O60885 3/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL8945133 1.00 FAAH (0.46) FAAHALDH1A1KMT2AKAT6AKDM4E
Hydrochloric Acid SCHEMBL8945089 0.99 FAAH (0.46) FAAHALDH1A1KMT2AKAT6AKDM4E
SCHEMBL8945126 0.84 FAAH (0.48) FAAHALDH1A1KMT2AKDM4EHPGD
SCHEMBL8945123 0.84 FAAH (0.48) FAAHALDH1A1KMT2AKAT6AKDM4E
Hydrochloric Acid SCHEMBL8944924 0.84 FAAH (0.44) FAAHALDH1A1KMT2AKAT6AKDM4E
Hydrochloric Acid SCHEMBL8945091 0.83 FAAH (0.47) FAAHALDH1A1KMT2AKAT6AKDM4E
SCHEMBL8945033 0.83 FAAH (0.48) FAAHKMT2AKAT6AKDM4ESMN1; SMN2
SCHEMBL8945005 0.82 FAAH (0.46) FAAHALDH1A1KMT2AKAT6AKDM4E
SCHEMBL8944901 0.82 FAAH (0.46) FAAHALDH1A1KMT2AKDM4EHPGD
SCHEMBL8945206 0.82 FAAH (0.46) FAAHALDH1A1KMT2AKAT6AKDM4E

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