SCHEMBL28656147

SCHEMBL28656147

CCN(OCCNc1c([N+](=O)[O-])cnc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADORA2A P29274 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 3/20 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
SCHEMBL28680171 0.85 MEN1 (0.41) MEN1KMT2APKMMAPTALDH1A1
SCHEMBL4344723 0.83 CHRM2 (0.40) MEN1KMT2APKMCHRM2CHRM1
SCHEMBL1233750 0.81 CHRM2 (0.46) MEN1KMT2APKMCHRM2CHRM1
SCHEMBL1232867 0.81 CHRM2 (0.42) MEN1KMT2APKMCHRM2CHRM1
SCHEMBL1041725 0.80 BCHE (0.44) MEN1KMT2APKMADORA2AMAPT
SCHEMBL1231854 0.80 BCHE (0.48) MEN1KMT2APKMCHRM2CHRM1
SCHEMBL1036949 0.78 BRD4 (0.44) MEN1KMT2ACHRM2CHRM1DRD2
SCHEMBL1233074 0.78 STK17B (0.44) MEN1KMT2ACHRM2CHRM1DRD2
SCHEMBL6724381 0.77 LDHA (0.50) MEN1KMT2APKMCHRM2CHRM1
SCHEMBL1041911 0.77 MEN1 (0.45) MEN1KMT2APKMMAPTHPGD

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-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN disclosed
CN-113660957-A Compositions, methods, and uses comprising antibody-TLR agonist conjugates AMBRX公司 2021-11-16 CN disclosed