SCHEMBL7004859

SCHEMBL7004859

O=C(O)c1cn(-c2ccc(F)cc2F)c2c(OC(F)F)c(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.40
FLT4 P35916 1/20 0.40
GSK3B P49841 1/20 0.40
RARB P10826 1/20 0.40
TBXAS1 P24557 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7009073 0.90 EPHA2 (0.41) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7007415 0.90 PIM1 (0.44) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL7006074 0.89 LMNA (0.41) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7015201 0.88 LMNA (0.42) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7011831 0.87 TOP2A (0.47) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7010750 0.87 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7004314 0.86 TOP2A (0.45) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL7010854 0.86 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7010163 0.86 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7007583 0.83 TOP2A (0.55) GSK3BKMT2AKDM4EALDH1A1LMNA

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