SCHEMBL8553639

SCHEMBL8553639

O=[N+]([O-])c1cccc2c(NCC34CCCN3CCC4)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CTSB P07858 1/20 0.39
AR P10275 1/20 0.39
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
CHRNA7 P36544 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8555066 0.93 CTSB (0.45) TDP1RAB9AKMT2AMEN1CTSB
SCHEMBL8555791 0.87 MAPT (0.47) TDP1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8556050 0.81 CTSB (0.43) KMT2AMEN1CTSBARALDH1A1
SCHEMBL8554926 0.76 HSP90AA1 (0.42) RAB9AKMT2AMEN1SCN5ASCN9A
SCHEMBL8554676 0.76 RAB9A (0.40) RAB9AKMT2AMEN1CTSBAR
SCHEMBL8554050 0.75 RAB9A (0.42) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL8967939 0.75 KAT2B (0.50) RAB9AKMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL8968053 0.74 KAT2B (0.51) RAB9AKMT2AMEN1ALDH1A1GAA
SCHEMBL9564285 0.74 ALDH1A1 (0.55) TDP1RAB9AKMT2AMEN1CTSB
SCHEMBL8555439 0.74 RAB9A (0.38) RAB9AKMT2AMEN1CTSBAR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed