SCHEMBL19987019

SCHEMBL19987019

C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)NC2CC4CC2C4)cn3-c2c(F)cccc2F)C[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL19986997 0.83 LMNA (0.40) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL21309163 0.80 KDM4E (0.44) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL21292654 0.79 EPHA2 (0.44) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL19971413 0.79 EPHA2 (0.59) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL21292653 0.78 LMNA (0.42) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL21292594 0.77 LMNA (0.42) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL19987005 0.77 LMNA (0.42) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL19986888 0.77 KDM4E (0.43) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL21309072 0.77 LMNA (0.41) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL19987116 0.76 LMNA (0.42) ALDH1A1LMNAKDM4EHSD17B10POLB

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