SCHEMBL8556050

SCHEMBL8556050

O=[N+]([O-])c1ccc(NCCC23CCCN2CCC3)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.43
AR P10275 2/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 7/20 0.41
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.38
NSD2 O96028 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9281848 0.88 MAPT (0.37) CTSBARPKMSMN1; SMN2MAPT
SCHEMBL8555066 0.88 CTSB (0.45) CTSBARPKMSMN1; SMN2MAPT
SCHEMBL8967939 0.85 KAT2B (0.50) PKMSMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL8968053 0.84 KAT2B (0.51) PKMSMN1; SMN2MAPTLMNAKMT2A
SCHEMBL8553639 0.81 TDP1 (0.44) CTSBARSMN1; SMN2MAPTLMNA
SCHEMBL8967549 0.79 MAPT (0.43) PKMSMN1; SMN2MAPTLMNAKMT2A
Fumaric Acid SCHEMBL8968115 0.78 NPC1 (0.43) PKMSMN1; SMN2MAPTLMNAKMT2A
Maleic Acid SCHEMBL8967637 0.78 NPC1 (0.43) PKMSMN1; SMN2MAPTLMNAKMT2A
SCHEMBL8555094 0.77 HRH3 (0.38) PKMSMN1; SMN2MAPTKMT2AHRH3
SCHEMBL8967649 0.76 CA12 (0.49) SMN1; SMN2MAPTKMT2AHRH3MEN1

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