SCHEMBL29201719

SCHEMBL29201719

COC(CO)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
SIGMAR1 Q99720 4/20 0.55
MC4R P32245 1/20 0.51
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
IGF1R P08069 1/20 0.49
ABCB1 P08183 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47

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
SCHEMBL30816856 1.00 KDM4E (0.55) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL16826896 0.84 KDM4E (0.54) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL30816895 0.80 SIGMAR1 (0.60) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL30816869 0.80 SIGMAR1 (0.60) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL30864070 0.80 SIGMAR1 (0.60) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL606956 0.79 LMNA (0.66) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL12781846 0.78 KDM4E (0.66) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL29201748 0.78 KDM4E (0.66) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL29201752 0.77 KDM4E (0.56) KDM4ESIGMAR1MC4RLMNAPOLB
SCHEMBL29201751 0.77 KDM4E (0.56) KDM4ESIGMAR1MC4RLMNAPOLB

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-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed