SCHEMBL8942326

SCHEMBL8942326

CNn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(Nc5ccc(CCN)cc5)C4)c(F)c3nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.37
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DPP4 P27487 3/20 0.34
PMP22 Q01453 1/20 0.34
EPHA2 P29317 1/20 0.33
FLT4 P35916 1/20 0.33
GSK3B P49841 1/20 0.33
RARB P10826 1/20 0.33

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
SCHEMBL8942091 0.91 KDM4E (0.38) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942266 0.89 KDM4E (0.42) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942012 0.88 DPP4 (0.46) KDM4EHSD17B10ALDH1A1LMNAPOLB
SCHEMBL8941918 0.86 TOP1 (0.41) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942040 0.85 KDM4E (0.38) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942009 0.85 KDM4E (0.38) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8941996 0.83 KDM4E (0.40) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942285 0.82 KDM4E (0.37) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942060 0.82 KDM4E (0.37) TOP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8941908 0.77 KDM4E (0.37) KDM4EHSD17B10ALDH1A1HPGDCYP3A4

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
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed