SCHEMBL28850146

SCHEMBL28850146

C[C@H](COc1cc(Br)cnc1Cl)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
PTGER1 P34995 1/20 0.35
TSHR P16473 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MET P08581 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28850148 1.00 LMNA (0.36) LMNAMAPTPTGER1TSHRCHRM2
SCHEMBL28850129 0.82 AAK1 (0.39) PTGER1CYP1A2SMN1; SMN2
SCHEMBL28995620 0.78 SCN9A (0.38) LMNAMAPTTSHRCHRM2CHRM4
SCHEMBL27020347 0.78 ALDH1A1 (0.38) MAPTPTGER1MET
SCHEMBL23580473 0.76 MTNR1A (0.37) LMNA
SCHEMBL23580474 0.76 MTNR1A (0.37) LMNA
SCHEMBL28995555 0.74 PLAU (0.38) LMNAMAPTTSHRCHRM2CHRM4
SCHEMBL28995553 0.74 PLAU (0.38) LMNAMAPTTSHRCHRM2CHRM4
SCHEMBL29168974 0.74 LMNA (0.36) LMNAMAPTTSHRCHRM2CHRM4
SCHEMBL29169061 0.73 LMNA (0.37) LMNAMAPTTSHRCHRM2CHRM4

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-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed