SCHEMBL19986876

SCHEMBL19986876

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
LMNA P02545 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 1/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
EPHA2 P29317 1/20 0.46
FLT4 P35916 1/20 0.46
GSK3B P49841 1/20 0.46
RARB P10826 1/20 0.46
TBXAS1 P24557 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 3/20 0.38
ATP6V1B2 P21281 1/20 0.38

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
SCHEMBL19971376 1.00 KDM4E (0.46) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL19986980 1.00 KDM4E (0.46) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL21292589 0.95 KDM4E (0.45) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL29980400 0.94 LMNA (0.43) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL19971409 0.94 LMNA (0.43) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL19987131 0.94 LMNA (0.47) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL21292639 0.93 LMNA (0.40) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL19971406 0.92 LMNA (0.48) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL19971479 0.92 LMNA (0.48) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL19986995 0.92 LMNA (0.48) KDM4ELMNAHSD17B10ALDH1A1HPGD

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