SCHEMBL28795237

SCHEMBL28795237

COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
GAA P10253 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CYP11B2 P19099 1/20 0.39
ACACB O00763 2/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR174 Q9BXC1 1/20 0.38
SIRT6 Q8N6T7 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
SCHEMBL31498867 0.94 ALDH1A1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL28795291 0.93 ACACB (0.42) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL28795255 0.91 SMN1; SMN2 (0.39) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL2204635 0.91 MAPT (0.53) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL17411148 0.90 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL28795387 0.90 CCNT1 (0.38) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL17411240 0.89 GPR119 (0.46) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL17410981 0.89 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2GPR119
SCHEMBL29710881 0.89 GPR119 (0.46) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL28795257 0.89 GPR119 (0.40) ALDH1A1MAPTLMNASMN1; SMN2HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067509-A1 EGFR DEGRADANT, AND PREPARATION METHOD AND USE THEREFOR 石药集团中奇制药技术(石家庄)有限公司 2025-04-03 WO disclosed
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