SCHEMBL8941986

SCHEMBL8941986

CNn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(C)(N)C4)cc3nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
LMNA P02545 7/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 6/20 0.38
HSD17B10 Q99714 6/20 0.38
HTT P42858 3/20 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 0.37
FLT4 P35916 1/20 0.37
GSK3B P49841 1/20 0.37
RARB P10826 1/20 0.37
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 4/20 0.36
CYP2C9 P11712 2/20 0.36
ATP6V1B2 P21281 1/20 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
SCHEMBL8942108 0.89 KDM4E (0.37) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8941958 0.88 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8942031 0.86 KMT2A (0.46) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8942107 0.85 LMNA (0.52) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8941977 0.85 KMT2A (0.38) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8942165 0.85 EPHA2 (0.37) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL9775907 0.85 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8942174 0.84 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8941969 0.84 DPP4 (0.48) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL9775863 0.84 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDHSD17B10

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