SCHEMBL6526577

SCHEMBL6526577

NC(=O)N1CN(C(N)=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN4A P35499 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
AMPD2 Q01433 9/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HSD17B3 P37058 2/20 0.42
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 2/20 0.38

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
SCHEMBL2335850 0.81 AMPD2 (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL11660056 0.78 ALDH1A1 (0.42) LMNATSHRAMPD2HSD17B3NPC1
SCHEMBL859611 0.73 LMNA (0.48) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL43169 0.73 NOTUM (0.68) LMNATSHRMAPK1NPC1MEN1
SCHEMBL29443491 0.73 NOTUM (0.68) LMNATSHRMAPK1NPC1MEN1
SCHEMBL3296716 0.72 TSHR (0.71) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL18042443 0.72 BRD4 (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL6173541 0.71 NOTUM (0.51) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3421961 0.71 HSD17B3 (0.47) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5026715 0.71 NOTUM (0.51) LMNATSHRMAPK1SCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed