SCHEMBL28816656

SCHEMBL28816656

CC(Oc1c(F)cccc1C(N)=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.43
DHODH Q02127 14/20 0.40
PARP1 P09874 3/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL29493466 1.00 IRAK4 (0.43) IRAK4DHODHPARP1MAPTHTT
SCHEMBL26919137 0.80 IRAK4 (0.41) IRAK4PARP1HTT
SCHEMBL23834656 0.80 ALDH1A1 (0.46) IRAK4PARP1MAPTHTT
SCHEMBL28816605 0.77 IRAK4 (0.68) IRAK4DHODHPARP1MAPTHTT
SCHEMBL28816607 0.77 IRAK4 (0.68) IRAK4DHODHPARP1MAPTHTT
SCHEMBL28145230 0.76 CES2 (0.40) PARP1MAPTHTT
SCHEMBL528652 0.76 LMNA (0.43) IRAK4PARP1MAPTHTT
Hydrochloric Acid SCHEMBL28262394 0.74 LMNA (0.43) IRAK4PARP1MAPTHTT
SCHEMBL26919916 0.74 DHODH (0.36) IRAK4DHODHPARP1
SCHEMBL22418891 0.73 IRAK4 (0.36) IRAK4DHODH

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-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN disclosed