SCHEMBL24676959

SCHEMBL24676959

CC(C)(C)OC(=O)N1CC(c2nc(C(F)(F)F)c(Br)s2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR1H2 P55055 1/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 2/20 0.35
USP30 Q70CQ3 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
HDAC4 P56524 3/20 0.34
TRPV3 Q8NET8 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
STS P08842 1/20 0.33
HPGD P15428 1/20 0.33
FPR2 P25090 1/20 0.33
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL24676849 0.84 NR1H2 (0.39) DDB1CRBNNR1H2RORCKDM4E
SCHEMBL24676714 0.75 DYRK2 (0.35) NR1H2USP30TRPV3HDAC6MAP3K14
SCHEMBL24677053 0.74 NR1H2 (0.40) NR1H2RORCKDM4EUSP30MAPT
SCHEMBL16717787 0.73 GPR119 (0.40) NR1H2RORCKDM4EUSP30MAPT
SCHEMBL29001993 0.73 USP30 (0.43) NR1H2KDM4EUSP30HPGDFPR2
SCHEMBL9947911 0.71 GPR119 (0.51) MAPT
SCHEMBL26132929 0.70 GPR119 (0.44) NR1H2KDM4EUSP30HPGD
SCHEMBL23149096 0.70 KDM4E (0.41) DDB1CRBNNR1H2RORCKDM4E
SCHEMBL9947823 0.69 HSD11B1 (0.44) NR1H2KDM4EUSP30MAPTTHRB
SCHEMBL29858289 0.69 NPC1 (0.46) KDM4EUSP30MAPTHPGD

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
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed