SCHEMBL28291524

SCHEMBL28291524

O=C1CN(c2ccc(C[SH](=O)=O)c(C(F)(F)F)c2)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.39
AOC3 Q16853 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NR1H2 P55055 1/20 0.30
DDB1 Q16531 2/20 0.30
CRBN Q96SW2 2/20 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
SCHEMBL28118256 0.74 AR (0.64) ARAOC3MEN1KMT2A
SCHEMBL28291525 0.73 AR (0.42) ARMEN1KMT2A
SCHEMBL28118706 0.72 AR (0.65) ARMEN1KMT2A
SCHEMBL28872808 0.72 AOC3 (0.47) ARAOC3
SCHEMBL28118767 0.72 AR (0.39) ARAOC3MEN1KMT2A
SCHEMBL27350499 0.70 DDB1 (0.42) MEN1KMT2ADDB1CRBN
SCHEMBL29872795 0.68 MEN1 (0.61) ARMEN1KMT2A
SCHEMBL27468096 0.67 KDM1A (0.39)
SCHEMBL28088762 0.66 ALDH1A1 (0.47)
SCHEMBL8728249 0.65 MAPT (0.46) MEN1KMT2ADDB1CRBN

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-106573921-B Imidazolidine-2, 4-dione derivatives 博福-益普生(天津)制药有限公司 2019-05-07 CN disclosed