SCHEMBL8945144

SCHEMBL8945144

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ3 P48549 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.35
KCNH2 Q12809 2/20 0.34
MAOB P27338 1/20 0.34
SCN5A Q14524 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP1A2 P05177 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
SCHEMBL8945107 0.89 FAAH (0.49) FAAHALDH1A1KMT2ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8945060 0.88 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8944953 0.88 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8945066 0.85 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8945297 0.84 FAAH (0.47) FAAHALDH1A1KMT2ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8945062 0.83 FAAH (0.46) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8945095 0.83 FAAH (0.43) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8945126 0.83 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL8945123 0.83 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8945327 0.83 FAAH (0.45) FAAHALDH1A1KMT2ASMN1; SMN2TP53

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