SCHEMBL8942091

SCHEMBL8942091

Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(Nc5ccc(CCN)cc5)C4)c(F)c3nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
TOP1 P11387 5/20 0.36
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PMP22 Q01453 1/20 0.34
DPP4 P27487 3/20 0.34
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
GSK3B P49841 1/20 0.34
RARB P10826 1/20 0.34
TBXAS1 P24557 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
SCHEMBL8942266 0.92 KDM4E (0.42) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942326 0.91 TOP1 (0.37) KDM4ETOP1KCNH2ALDH1A1HPGD
SCHEMBL8942012 0.89 DPP4 (0.46) KDM4EKCNH2ALDH1A1HSD17B10LMNA
SCHEMBL8942049 0.85 TOP1 (0.40) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8942076 0.85 KDM4E (0.41) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL8941910 0.83 KDM4E (0.40) KDM4ETOP1KCNH2ALDH1A1HPGD
SCHEMBL8942201 0.83 KDM4E (0.41) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL8942075 0.82 KDM4E (0.39) KDM4EKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL8942298 0.77 KDM4E (0.50) KDM4ETOP1KCNH2ALDH1A1HPGD
SCHEMBL8941970 0.77 TOP1 (0.42) KDM4ETOP1ALDH1A1HPGDHSD17B10

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