SCHEMBL19987116

SCHEMBL19987116

C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)NC(C)(C)CC(F)(F)F)cn3-c2c(F)cc(F)cc2F)C[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
XBP1 P17861 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.40
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
SCHEMBL19987062 0.95 LMNA (0.45) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19971404 0.95 LMNA (0.45) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19986997 0.93 LMNA (0.40) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19986888 0.89 KDM4E (0.43) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21292653 0.88 LMNA (0.42) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19971483 0.88 KMT2A (0.46) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21309203 0.87 KDM4E (0.46) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19971457 0.87 KDM4E (0.46) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19987101 0.87 KDM4E (0.46) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19971438 0.87 KDM4E (0.46) LMNAKDM4EHSD17B10ALDH1A1HPGD

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
WO-2018050510-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-22 WO disclosed