SCHEMBL6635744

SCHEMBL6635744

CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)c(CS(=O)(=O)O)n3C2CC2)C[C@H]1CN

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
KDM4E B2RXH2 2/20 0.68
HSD17B10 Q99714 2/20 0.68
ABCC4 O15439 1/20 0.68
DPP4 P27487 6/20 0.66
CHRM2 P08172 1/20 0.66
DRD1 P21728 1/20 0.66
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 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
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
ATP6V1B2 P21281 1/20 0.32
TBXA2R P21731 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL6864002 0.90 LMNA (0.66) LMNAKDM4EHSD17B10ABCC4DPP4
SCHEMBL2416829 0.90 LMNA (0.66) LMNAKDM4EHSD17B10ABCC4DPP4
Water SCHEMBL7126950 0.89 LMNA (0.66) LMNAKDM4EHSD17B10ABCC4DPP4
SCHEMBL3145549 0.88 DPP4 (0.71) LMNAKDM4EHSD17B10ABCC4DPP4
SCHEMBL6231254 0.82 DPP4 (0.69) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL1237121 0.81 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL2421087 0.81 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL136827 0.81 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL29408809 0.81 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL3141327 0.81 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4

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-1214321-B1 PROCESS FOR PRODUCTION OF NAPHTHYRIDINE-3-CARBOXYLIC ACID DERIVATIVES LG LIFE SCIENCES LTD (KR) 2004-07-14 EP disclosed