SCHEMBL7849914

SCHEMBL7849914

Nc1c(F)c(N2CC3CC(O)C3C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.70
POLB P06746 1/20 0.70
MAPK1 P28482 1/20 0.70
CACNA1D Q01668 1/20 0.70
KCNH2 Q12809 1/20 0.70
CACNA1S Q13698 1/20 0.70
CACNA1C Q13936 1/20 0.70
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GSK3B P49841 16/20 0.56
TOP2A P11388 2/20 0.54
TOP2B Q02880 2/20 0.54

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
SCHEMBL9283878 1.00 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7849911 1.00 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7849913 1.00 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9066409 0.91 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9066831 0.91 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9066836 0.91 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7841424 0.90 MEN1 (0.59) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7841428 0.90 MEN1 (0.59) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7841431 0.90 MEN1 (0.59) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9177274 0.89 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2

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
EP-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US claimed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed