SCHEMBL9426331

SCHEMBL9426331

Nc1c(F)c(N2CCC(=O)CC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.71
POLB P06746 1/20 0.71
MAPK1 P28482 1/20 0.71
CACNA1D Q01668 1/20 0.71
KCNH2 Q12809 1/20 0.71
CACNA1S Q13698 1/20 0.71
CACNA1C Q13936 1/20 0.71
GSK3B P49841 15/20 0.62
TOP2A P11388 2/20 0.59
TOP2B Q02880 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL10686828 0.91 CACNA1F (0.74) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9160785 0.90 CACNA1F (0.73) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9425476 0.90 CACNA1F (0.67) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10412149 0.89 CACNA1F (0.71) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL5868656 0.89 POLB (0.71) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9162815 0.89 CACNA1F (0.66) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10681752 0.88 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6305453 0.88 KCNH2 (0.73) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL10682675 0.88 CACNA1F (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9425546 0.88 MEN1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276041-A Antibacterial agent KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-01-04 US disclosed