SCHEMBL19987047

SCHEMBL19987047

CC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(O)[C@H](O)C3)c(F)cc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
GSK3B P49841 1/20 0.44
RARB P10826 1/20 0.44
TBXAS1 P24557 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 3/20 0.41
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
SCHEMBL19971490 1.00 LMNA (0.45) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL19986999 1.00 LMNA (0.45) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL23542650 1.00 LMNA (0.45) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL19987141 0.95 KMT2A (0.46) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL29980030 0.95 KMT2A (0.46) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL21292590 0.93 LMNA (0.46) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL21292591 0.93 LMNA (0.46) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL19987032 0.93 LMNA (0.46) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL23542658 0.93 LMNA (0.41) LMNAKDM4EHSD17B10ALDH1A1POLB
SCHEMBL19987009 0.93 LMNA (0.38) LMNAKDM4EHSD17B10ALDH1A1POLB

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-3512849-B1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE BAYER AG (DE) 2021-06-23 EP disclosed
WO-2018050510-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-22 WO disclosed