SCHEMBL9054253

SCHEMBL9054253

Nc1c(F)c(N2CC3NC3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.65
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.65
CACNA1D Q01668 1/20 0.65
KCNH2 Q12809 1/20 0.65
CACNA1S Q13698 1/20 0.65
CACNA1C Q13936 1/20 0.65
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GSK3B P49841 16/20 0.47
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
CYP3A4 P08684 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
SCHEMBL9054251 1.00 CACNA1F (0.65) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9524061 0.88 CACNA1F (0.83) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6973407 0.86 KCNH2 (0.56) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6973414 0.86 KCNH2 (0.56) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6973421 0.86 KCNH2 (0.56) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6971662 0.86 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6971683 0.86 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6982476 0.86 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6982464 0.86 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6971668 0.86 KCNH2 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO claimed
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO disclosed