SCHEMBL9208089

SCHEMBL9208089

CC(C)(C)OC(=O)NCC12CN(c3cc4c(cc3F)c(=O)c(OC(=O)O)cn4-c3ccc(F)cc3F)CC1CCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 9/20 0.34
ALDH1A1 P00352 7/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 5/20 0.34
TOP2B Q02880 1/20 0.33
POLB P06746 2/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPK8 P45983 1/20 0.32
EPHA2 P29317 1/20 0.32
FLT4 P35916 1/20 0.32
GSK3B P49841 1/20 0.32
RARB P10826 1/20 0.32
TBXAS1 P24557 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
SCHEMBL8924069 0.93 LMNA (0.43) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7502083 0.90 ALDH1A1 (0.36) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7498541 0.89 ALDH1A1 (0.36) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL9211202 0.89 KDM4E (0.43) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7494670 0.87 KDM4E (0.35) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7494808 0.87 ALDH1A1 (0.36) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7498548 0.87 ALDH1A1 (0.35) LMNAKMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9215646 0.85 KMT2A (0.38) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7847782 0.83 ALDH1A1 (0.41) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL7843329 0.81 ALDH1A1 (0.41) LMNAKMT2AMEN1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP disclosed