SCHEMBL8941882

SCHEMBL8941882

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(NCCN)C4)cc3nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 5/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 4/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 2/20 0.37
TOP1 P11387 2/20 0.36
DPP4 P27487 2/20 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
SCHEMBL8942267 0.93 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8942103 0.92 LMNA (0.38) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8942003 0.89 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8942082 0.89 TOP1 (0.41) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8941940 0.87 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8942006 0.87 LMNA (0.49) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8941920 0.87 KMT2A (0.38) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8942226 0.87 KMT2A (0.46) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8942358 0.86 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL8942094 0.86 DPP4 (0.48) ALDH1A1LMNAKDM4EHSD17B10HPGD

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