SCHEMBL28795255

SCHEMBL28795255

COc1cc(N2CCC3(CC2)CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC3)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
STS P08842 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
GPR119 Q8TDV5 3/20 0.38
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
BACE1 P56817 1/20 0.38
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
GPR174 Q9BXC1 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 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
SCHEMBL28795234 0.94 CCNT1 (0.39) SMN1; SMN2GAAALOX12STSALDH1A1
SCHEMBL28795387 0.92 CCNT1 (0.38) SMN1; SMN2GAASTSALDH1A1MAPT
SCHEMBL28795204 0.92 SMN1; SMN2 (0.47) SMN1; SMN2GAAALOX12STSALDH1A1
SCHEMBL28795202 0.92 SMN1; SMN2 (0.45) SMN1; SMN2GAAALOX12STSALDH1A1
SCHEMBL28795237 0.91 ALDH1A1 (0.43) SMN1; SMN2GAAALDH1A1MAPTLMNA
SCHEMBL25338911 0.90 MAPT (0.43) SMN1; SMN2GAAALOX12STSALDH1A1
SCHEMBL28795257 0.87 GPR119 (0.40) SMN1; SMN2GAAALDH1A1MAPTLMNA
SCHEMBL28795212 0.86 SMN1; SMN2 (0.39) SMN1; SMN2GAAALOX12STSALDH1A1
SCHEMBL28795291 0.86 ACACB (0.42) SMN1; SMN2GAAALDH1A1MAPTLMNA
SCHEMBL28795433 0.86 SMN1; SMN2 (0.38) SMN1; SMN2GAAALDH1A1MAPTLMNA

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