SCHEMBL8552834

SCHEMBL8552834

CN(c1c[n+]([O-])c2ccccc2c1[N+](=O)[O-])C12CCCN1CCC2

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
XBP1 P17861 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TLR9 Q9NR96 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
SCHEMBL8558985 0.80 TSHR (0.45) NPC1RAB9ALMNAPOLBALDH1A1
SCHEMBL8556306 0.77 KDR (0.34) NPC1MAPTRAB9ANPSR1KDM4E
SCHEMBL8554052 0.77 LMNA (0.37) NPC1MAPTRAB9ALMNAPOLB
SCHEMBL8552830 0.71 RAB9A (0.37) RAB9AHTTLMNAALDH1A1
SCHEMBL8554881 0.69 ALDH1A1 (0.35) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL10688327 0.69 S100A4 (0.36) NPC1MAPTRAB9ANPSR1KDM4E
SCHEMBL9770602 0.68 CTSB (0.49) MAPTKDM4EHTTLMNAPOLB
SCHEMBL3342318 0.67 TSHR (0.51) NPC1MAPTRAB9ANPSR1KDM4E
SCHEMBL8555441 0.66 DYRK1A (0.39) MAPTNPSR1KDM4EHTTPOLB
SCHEMBL8552840 0.66 MAPT (0.36) NPC1MAPTRAB9ANPSR1KDM4E

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