SCHEMBL28795359

SCHEMBL28795359

COc1cc(N2CCN(C3CCN(CC4CCN(C(=O)OC(C)(C)C)CC4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.39
GPR174 Q9BXC1 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM4 P08173 1/20 0.38
TGFBR1 P36897 1/20 0.37
BACE1 P56817 1/20 0.37
STS P08842 1/20 0.37

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
SCHEMBL28795232 0.97 SMN1; SMN2 (0.41) SMN1; SMN2GAAALOX12GPR119POLB
SCHEMBL28795397 0.93 ALDH1A1 (0.45) SMN1; SMN2GAAGPR119POLBALDH1A1
SCHEMBL28795204 0.92 SMN1; SMN2 (0.47) SMN1; SMN2GAAALOX12GPR119POLB
SCHEMBL28795438 0.92 ALDH1A1 (0.39) SMN1; SMN2GAAALOX12GPR119POLB
SCHEMBL28795428 0.91 GPR119 (0.44) SMN1; SMN2GPR119POLBALDH1A1MAPT
SCHEMBL28795202 0.91 SMN1; SMN2 (0.45) SMN1; SMN2GAAALOX12GPR119ALDH1A1
SCHEMBL30741186 0.90 GPR119 (0.40) SMN1; SMN2GAAALOX12GPR119POLB
SCHEMBL27162087 0.90 GPR119 (0.40) SMN1; SMN2GAAALOX12GPR119POLB
SCHEMBL31458457 0.90 ALDH1A1 (0.44) SMN1; SMN2GAAGPR119POLBALDH1A1
SCHEMBL28795474 0.90 ALDH1A1 (0.44) SMN1; SMN2GAAGPR119POLBALDH1A1

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