SCHEMBL28795145

SCHEMBL28795145

Cc1cc([N+](=O)[O-])c(Cl)cc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
GPR174 Q9BXC1 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRM1 P35372 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
SCHEMBL28795429 0.96 SMN1; SMN2 (0.48) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL25338911 0.87 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL31155399 0.86 GPR174 (0.44) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28795264 0.86 CNR1 (0.45) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28795202 0.85 SMN1; SMN2 (0.45) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL25339886 0.85 GPR174 (0.47) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28795204 0.83 SMN1; SMN2 (0.47) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28795349 0.83 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28795172 0.82 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL28795212 0.82 SMN1; SMN2 (0.39) MAPTALDH1A1LMNASMN1; SMN2GAA

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