SCHEMBL29025713

SCHEMBL29025713

COc1cc(Cl)c(C(=O)CBr)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GSK3B P49841 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ABCB1 P08183 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PDE4D Q08499 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
SCHEMBL6928976 0.88 HPGDS (0.49) HPGDSLCKFYNALDH1A1GSK3B
SCHEMBL16914030 0.87 HPGDS (0.47) HPGDSALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL20508037 0.85 HPGDS (0.49) HPGDSLCKFYNALDH1A1GSK3B
SCHEMBL2129095 0.81 LCK (0.58) LCKFYNALDH1A1KDM4E
SCHEMBL30356409 0.81 HTT (0.46) LCKFYNALDH1A1SMN1; SMN2LMNA
SCHEMBL23173662 0.81 HPGDS (0.49) HPGDSALDH1A1GSK3BSMN1; SMN2LMNA
SCHEMBL29025712 0.81 HTT (0.46) LCKFYNALDH1A1SMN1; SMN2LMNA
SCHEMBL25259502 0.81 LCK (0.49) HPGDSLCKFYNALDH1A1GSK3B
SCHEMBL17239435 0.80 GAA (0.53) LCKFYNALDH1A1SMN1; SMN2LMNA
SCHEMBL23173661 0.77 HPGDS (0.42) HPGDSLCKFYNALDH1A1ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143717-B Deuterated carbamate compound and application thereof in medicine 康百达(四川)生物医药科技有限公司 2025-05-06 CN disclosed
CN-116143717-A Deuterated carbamate compound and application thereof in medicine 成都百裕制药股份有限公司 2023-05-23 CN disclosed