SCHEMBL7997965

SCHEMBL7997965

Cc1c(F)c(N2CC(N)C3(CC3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 4/20 0.42
POLB P06746 2/20 0.42
CACNA1F O60840 1/20 0.42
MAPK1 P28482 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
CYP3A4 P08684 1/20 0.40
GSK3B P49841 6/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TOP2A P11388 3/20 0.36
TOP2B Q02880 3/20 0.36
RPS6KB1 P23443 1/20 0.36
MATK P42679 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
PIM3 Q86V86 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL8007518 1.00 KMT2A (0.43) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL13483620 0.91 CACNA1F (0.53) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL7997969 0.87 CYP3A4 (0.34) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL12961917 0.85 KCNH2 (0.53) KMT2AKCNH2POLBCYP3A4HRH3
SCHEMBL9136561 0.84 MEN1 (0.50) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL7997785 0.84 KCNH2 (0.51) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL7997787 0.84 KCNH2 (0.51) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL8010003 0.83 RPS6KB1 (0.51) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL7997606 0.83 RPS6KB1 (0.51) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL7997604 0.83 RPS6KB1 (0.51) KMT2AMEN1KCNH2POLBCACNA1F

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 4 patents. 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
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP claimed
EP-0593766-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI SEIYAKU CO (JP) 2000-09-06 EP disclosed
EP-0593766-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed