SCHEMBL8945174

SCHEMBL8945174

OCC(COc1noc2ccc(Cl)cc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ3 P48549 1/20 0.35
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 1/20 0.34
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
KAT6A Q92794 1/20 0.31
ABCC9 O60706 1/20 0.31
MGLL Q99685 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
SCHEMBL8945245 0.90 FAAH (0.40) FAAHALDH1A1MAPTKMT2APOLB
SCHEMBL8944910 0.88 FAAH (0.39) FAAHALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8945282 0.81 SIRT2 (0.38) FAAHKCNH2SCN5A
SCHEMBL8944989 0.80 FAAH (0.38) FAAHMAPTSMN1; SMN2TP53ALOX15
SCHEMBL8944985 0.80 FAAH (0.38) FAAHMAPTSMN1; SMN2TP53ALOX15
SCHEMBL8945225 0.77 FAAH (0.35) FAAHKCNH2SCN5A
SCHEMBL9441476 0.76 FAAH (0.49) FAAHALDH1A1MAPTKMT2AKDM4E
SCHEMBL8944950 0.76 FAAH (0.46) FAAHALDH1A1MAPTKMT2AKDM4E
SCHEMBL8945066 0.75 FAAH (0.48) FAAHALDH1A1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL8945297 0.74 FAAH (0.47) FAAHALDH1A1MAPTKMT2AKDM4E

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