SCHEMBL8945050

SCHEMBL8945050

COc1ccc2onc(OCC(N)CO)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL8945100 0.86 FAAH (0.39) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8945077 0.86 MAPT (0.43) MAPTPOLBHTTTP53LMNA
Hydrochloric Acid SCHEMBL8944982 0.85 MAPT (0.42) MAPTPOLBHTTTP53LMNA
SCHEMBL8945066 0.83 FAAH (0.48) KCNH2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8945083 0.82 FAAH (0.33)
Hydrochloric Acid SCHEMBL8945297 0.82 FAAH (0.47) KCNH2ALDH1A1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL8945101 0.79 FAAH (0.49) KCNH2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5617796 0.77 FAAH (0.43) GAAALDH1A1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL6991179 0.76 FAAH (0.43) GAAALDH1A1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL8945078 0.74 ESR1 (0.41) ALDH1A1HPGDPOLB

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