SCHEMBL8407040

SCHEMBL8407040

CCOC(=O)c1cnc2c(N3CCOCC3)nccc2c1Nc1ccccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
GAA P10253 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 3/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
MC4R P32245 2/20 0.51
HTT P42858 2/20 0.51
PTK2B Q14289 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
THRB P10828 1/20 0.50
CLK1 P49759 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50

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
SCHEMBL8405322 0.91 MAPT (0.52) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL8405204 0.80 TP53 (0.56) MAPTTP53THRB
SCHEMBL11250615 0.80 TP53 (0.66) MAPTTP53THRB
SCHEMBL7848455 0.79 TP53 (0.71) MAPTTP53THRB
Hydrochloric Acid SCHEMBL11246958 0.79 TP53 (0.65) MAPTTP53THRB
SCHEMBL8568662 0.78 PKM (0.55) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL8569897 0.77 LMNA (0.43) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL27447787 0.76 AURKA (0.41) MAPTGAASMN1; SMN2TDP1L3MBTL1
SCHEMBL11235536 0.76 TP53 (0.62) MAPTTP53
SCHEMBL11233814 0.76 THRB (0.68) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952504-A REACTING A SULFONATED, HALOGENATED OR PHOSPHONATED 1,7-NAPHTHYRIDINE COMPOUNDS WITH AN AROMATIC AMINE DERIVATIVE; ANTIULCER AGENT YUNGJIN PHARMACEUTICAL COMPANY, LTD. (KR) 1999-09-14 US disclosed
EP-0843677-A1 4-AMINO-3-ACYLNAPHTHYRIDINE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1998-05-27 EP disclosed
WO-1997003074-A1 4-AMINO-3-ACYLNAPHTHYRIDINE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 WO disclosed