SCHEMBL7012871

SCHEMBL7012871

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(OCF)c(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.43
TOP2B Q02880 11/20 0.43
CYP3A4 P08684 1/20 0.38
GSK3B P49841 2/20 0.37
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PRKD3 O94806 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL8317967 1.00 TOP2A (0.43) TOP2ATOP2BCYP3A4GSK3BKCNH2
SCHEMBL7009330 0.90 TOP2A (0.55) TOP2ATOP2BGSK3BKCNH2POLB
SCHEMBL7009159 0.90 CYP3A4 (0.45) TOP2ATOP2BCYP3A4GSK3BKCNH2
SCHEMBL8319180 0.90 CYP3A4 (0.45) TOP2ATOP2BCYP3A4GSK3BKCNH2
SCHEMBL8318407 0.89 TOP2A (0.43) TOP2ATOP2BCYP3A4GSK3BKCNH2
SCHEMBL7012608 0.89 TOP2A (0.43) TOP2ATOP2BCYP3A4GSK3BKCNH2
SCHEMBL7097801 0.88 TOP2A (0.43) TOP2ATOP2BCYP3A4GSK3BKCNH2
SCHEMBL7097796 0.88 TOP2A (0.43) TOP2ATOP2BCYP3A4GSK3BKCNH2
SCHEMBL8323564 0.87 TOP2A (0.57) TOP2ATOP2BPOLBKDM4EALDH1A1
SCHEMBL8323568 0.87 TOP2A (0.57) TOP2ATOP2BPOLBKDM4EALDH1A1

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 3 patents. 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 disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed