SCHEMBL29005159

SCHEMBL29005159

O=C(O)c1cnc(OC(F)C(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.42
KDM4E B2RXH2 4/20 0.36
HCAR2 Q8TDS4 2/20 0.36
NAPRT Q6XQN6 1/20 0.36
ASPH Q12797 2/20 0.36
KDM8 Q8N371 1/20 0.36
P4HTM Q9NXG6 6/20 0.35
P4HA1 P13674 1/20 0.35
MIF P14174 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL992595 0.86 SIRT6 (0.44) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL16664326 0.83 SIRT6 (0.42) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL9947622 0.79 SIRT6 (0.49) SIRT6KDM4EHCAR2NAPRTP4HTM
SCHEMBL29005279 0.77 SIRT6 (0.39) SIRT6
SCHEMBL936961 0.76 SIRT6 (0.42) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL2645887 0.76 SIRT6 (0.50) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL18401863 0.76 SIRT6 (0.42) SIRT6KDM4EASPHL3MBTL1MAPK1
SCHEMBL17495670 0.76 SIRT6 (0.42) SIRT6KDM4EASPHL3MBTL1MAPK1
SCHEMBL28972379 0.75 MAPT (0.54) HCAR2NAPRTP4HTMP4HA1MIF
Hydrochloric Acid SCHEMBL17668830 0.75 SIRT6 (0.41) SIRT6KDM4EHCAR2NAPRTASPH

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
CN-116134018-A 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor 默沙东有限责任公司 2023-05-16 CN disclosed