SCHEMBL28795202

SCHEMBL28795202

COc1cc(N2CCC(N3CCN(C4CCN(C(=O)OC(C)(C)C)CC4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.45
ALOX12 P18054 1/20 0.45
STS P08842 1/20 0.41
GPR119 Q8TDV5 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
GPR174 Q9BXC1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.39
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
BACE1 P56817 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL28795204 0.98 SMN1; SMN2 (0.47) SMN1; SMN2GAAALOX12STSGPR119
SCHEMBL25338911 0.98 MAPT (0.43) SMN1; SMN2GAAALOX12STSGPR119
SCHEMBL28795212 0.94 SMN1; SMN2 (0.39) SMN1; SMN2GAAALOX12STSALDH1A1
SCHEMBL28795305 0.94 CCNT1 (0.40) SMN1; SMN2GAAALOX12STSALDH1A1
SCHEMBL28795232 0.92 SMN1; SMN2 (0.41) SMN1; SMN2GAAALOX12STSGPR119
SCHEMBL28795255 0.92 SMN1; SMN2 (0.39) SMN1; SMN2GAAALOX12STSGPR119
SCHEMBL28795188 0.91 GPR119 (0.51) GPR119ALDH1A1MAPTLMNAGPR174
SCHEMBL28795359 0.91 SMN1; SMN2 (0.43) SMN1; SMN2GAAALOX12STSGPR119
SCHEMBL25369846 0.89 MAPT (0.42) SMN1; SMN2GAAALOX12ALDH1A1MAPT
SCHEMBL28795438 0.89 ALDH1A1 (0.39) SMN1; SMN2GAAALOX12GPR119ALDH1A1

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-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 CN disclosed