SCHEMBL28795264

SCHEMBL28795264

Cc1cc([N+](=O)[O-])c(Cl)cc1N1CCC(CN2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
GPR174 Q9BXC1 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
DRD2 P14416 2/20 0.41
MET P08581 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
NR1D1 P20393 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
SCHEMBL28795172 0.96 MAPT (0.44) CNR1MAPTALDH1A1LMNAGPR174
SCHEMBL28795474 0.88 ALDH1A1 (0.44) CNR1MAPTALDH1A1LMNAGPR174
SCHEMBL31458457 0.88 ALDH1A1 (0.44) CNR1MAPTALDH1A1LMNAGPR174
SCHEMBL28795145 0.86 MAPT (0.44) MAPTALDH1A1LMNAGPR174SMN1; SMN2
SCHEMBL28795397 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNAGPR174SMN1; SMN2
SCHEMBL28795428 0.82 GPR119 (0.44) MAPTALDH1A1LMNAGPR174SMN1; SMN2
SCHEMBL28795429 0.82 SMN1; SMN2 (0.48) MAPTALDH1A1LMNAGPR174SMN1; SMN2
SCHEMBL28795232 0.82 SMN1; SMN2 (0.41) MAPTALDH1A1LMNAGPR174SMN1; SMN2
SCHEMBL29803165 0.81 ALDH1A1 (0.40) MAPTALDH1A1LMNAGPR174L3MBTL1
SCHEMBL28795349 0.81 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1

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