SCHEMBL28795397

SCHEMBL28795397

COc1cc(N2CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.43
GPR119 Q8TDV5 1/20 0.42
POLB P06746 1/20 0.42
GPR174 Q9BXC1 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TGFBR1 P36897 1/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MET P08581 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL28795474 0.96 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL31458457 0.96 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL28795428 0.94 GPR119 (0.44) ALDH1A1SMN1; SMN2HTTMAPTLMNA
SCHEMBL28795232 0.93 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL28795359 0.93 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL28795257 0.92 GPR119 (0.40) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL31700584 0.91 GPR174 (0.49) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL28795396 0.90 GPR119 (0.39) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL29059659 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTGAAMAPT
SCHEMBL28795438 0.88 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTGAAMAPT

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