SCHEMBL30629099

SCHEMBL30629099

CC1(C)CCc2c(-c3nc(N4CCc5cc(C=O)ccc54)no3)n[nH]c2C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 2/20 0.30
ADRB1 P08588 2/20 0.30
ADRB3 P13945 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
SCHEMBL26108388 1.00 ITK (0.34) ITKMEN1ALDH1A1GAAMAPT
SCHEMBL26109881 0.87 ROCK1 (0.37) ITK
SCHEMBL30629061 0.81 ADRB2 (0.32) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL26108660 0.81 ADRB2 (0.32) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL13344249 0.77 ALPL (0.33) ITKMEN1MAPTHPGDKMT2A
SCHEMBL30587797 0.77 MEN1 (0.36) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL26108216 0.77 MEN1 (0.36) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL30629157 0.76 RIPK1 (0.32) ITK
SCHEMBL30629044 0.72 MAPT (0.38) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL26109423 0.72 MAPT (0.38) MEN1ALDH1A1GAAMAPTHPGD

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-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed