SCHEMBL28795172

SCHEMBL28795172

Cc1cc([N+](=O)[O-])c(Cl)cc1N1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
CNR1 P21554 1/20 0.43
DRD2 P14416 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GPR174 Q9BXC1 1/20 0.40
MET P08581 1/20 0.40
TP53 P04637 1/20 0.39
NR1D1 P20393 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL28795264 0.96 CNR1 (0.45) MAPTALDH1A1LMNACNR1DRD2
SCHEMBL28795397 0.88 ALDH1A1 (0.45) MAPTALDH1A1LMNASMN1; SMN2GPR174
SCHEMBL28795429 0.86 SMN1; SMN2 (0.48) MAPTALDH1A1LMNASMN1; SMN2GPR174
SCHEMBL28795474 0.84 ALDH1A1 (0.44) MAPTALDH1A1LMNACNR1SMN1; SMN2
SCHEMBL31458457 0.84 ALDH1A1 (0.44) MAPTALDH1A1LMNACNR1SMN1; SMN2
SCHEMBL29803165 0.83 ALDH1A1 (0.40) MAPTALDH1A1LMNAGPR174L3MBTL1
SCHEMBL28795428 0.82 GPR119 (0.44) MAPTALDH1A1LMNASMN1; SMN2GPR174
SCHEMBL28795145 0.82 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2GPR174
SCHEMBL28795232 0.82 SMN1; SMN2 (0.41) MAPTALDH1A1LMNASMN1; SMN2GPR174
SCHEMBL28795359 0.82 SMN1; SMN2 (0.43) MAPTALDH1A1LMNASMN1; SMN2GPR174

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