SCHEMBL7013280

SCHEMBL7013280

COc1c(-c2ccc3c(c2)CNC3)c(F)c(N)c2c(=O)c(OC(=O)O)cn(C3CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.42
TOP2B Q02880 4/20 0.42
GSK3B P49841 10/20 0.42
KCNH2 Q12809 3/20 0.38
POLB P06746 2/20 0.38
CACNA1F O60840 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
KDM4E B2RXH2 1/20 0.34
PRKD3 O94806 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.34
CLK2 P49760 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7006682 0.89 TOP2A (0.55) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7017683 0.84 TOP2A (0.45) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7496537 0.81 GSK3B (0.49) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7098947 0.81 TOP2A (0.53) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7012074 0.80 TOP2A (0.51) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7011702 0.78 TOP2A (0.65) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7502021 0.78 KCNH2 (0.40) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7010007 0.77 TOP2A (0.46) TOP2ATOP2BKCNH2POLB
SCHEMBL7012229 0.76 TOP2A (0.57) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7007585 0.74 TOP2A (0.44) TOP2ATOP2BGSK3BKCNH2POLB

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-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP claimed