SCHEMBL8554881

SCHEMBL8554881

O=[N+]([O-])c1c(NCCC23CCCN2CCC3)c[n+]([O-])c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 4/20 0.31
THRB P10828 1/20 0.31
HTR6 P50406 1/20 0.31
MAPK1 P28482 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8552830 0.90 RAB9A (0.37) ALDH1A1SCN5ASCN9ARAB9ALMNA
SCHEMBL8555094 0.78 HRH3 (0.38) ALDH1A1PKMSMN1; SMN2SCN5ASCN9A
SCHEMBL8556050 0.76 CTSB (0.43) ALDH1A1PKMSMN1; SMN2LMNAMAPT
SCHEMBL8967939 0.76 KAT2B (0.50) ALDH1A1PKMSMN1; SMN2RAB9ALMNA
Hydrochloric Acid SCHEMBL8968053 0.74 KAT2B (0.51) ALDH1A1PKMSMN1; SMN2RAB9ALMNA
SCHEMBL9770616 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL8554926 0.70 HSP90AA1 (0.42) ALDH1A1SCN5ASCN9ARAB9ALMNA
SCHEMBL8552834 0.69 NPC1 (0.31) ALDH1A1SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL8967649 0.69 CA12 (0.49) ALDH1A1SMN1; SMN2MAPTGAAHPGD
Fumaric Acid SCHEMBL8968115 0.69 NPC1 (0.43) ALDH1A1PKMSMN1; SMN2RAB9ALMNA

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