SCHEMBL7997969

SCHEMBL7997969

Cc1c(F)c(N2C[C@@H](N)C3(CC3)C2)c(F)c2c1c(=O)c(OC(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CACNA1F O60840 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
CACNA1D Q01668 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7997965 0.87 KMT2A (0.43) CYP3A4CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8007518 0.87 KMT2A (0.43) CYP3A4CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8009438 0.85 KCNH2 (0.38) CYP3A4KCNH2
SCHEMBL8007488 0.84 PIM3 (0.41) CYP3A4CACNA1FPOLBMAPK1CACNA1D
SCHEMBL1855545 0.80 POLB (0.46) CYP3A4POLBKCNH2
SCHEMBL1857357 0.79 KCNH2 (0.44) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9023587 0.79 KCNH2 (0.44) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL13483620 0.78 CACNA1F (0.53) CYP3A4CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6975592 0.77 CACNA1F (0.40) CYP3A4CACNA1FPOLBMAPK1CACNA1D
SCHEMBL12961917 0.76 KCNH2 (0.53) CYP3A4POLBKCNH2KMT2A

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
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP claimed