SCHEMBL8405331

SCHEMBL8405331

CCOC(=O)c1cnc2c(N3CCCCC3)nccc2c1NC1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
PDE4B Q07343 6/20 0.42
OPRK1 P41145 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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 0.78 MAPT (0.52) TP53MAPTGAAMAPK1SMN1; SMN2
SCHEMBL8572886 0.72 MEN1 (0.49) LMNATP53PDE4BOPRK1ADORA1
SCHEMBL8408363 0.71 MEN1 (0.47) LMNATP53PDE4BOPRK1ADORA1
SCHEMBL8408093 0.71 ALDH1A1 (0.44) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8407040 0.70 MAPT (0.64) LMNATP53MEN1KMT2AMAPT
SCHEMBL28731713 0.69 ACACB (0.50) HPGDLMNAPDE4BMEN1KMT2A
SCHEMBL31141716 0.69 ACACB (0.50) HPGDLMNAPDE4BMEN1KMT2A
SCHEMBL31141679 0.69 ACACB (0.50) HPGDLMNAPDE4BMEN1KMT2A
SCHEMBL31493850 0.66 KMT2A (0.52) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21630699 0.66 KMT2A (0.52) HPGDLMNAMEN1KMT2ASMN1; SMN2

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 2 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
WO-1997003074-A1 4-AMINO-3-ACYLNAPHTHYRIDINE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 WO disclosed