SCHEMBL28795234

SCHEMBL28795234

COc1cc(N2CCC3(CC2)CCN(C2CCN(C4CN(C(=O)OC(C)(C)C)C4)CC2)CC3)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALOX12 P18054 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OGFRL1 Q5TC84 2/20 0.34
OPRD1 P41143 1/20 0.34
STS P08842 1/20 0.34
PDE4B Q07343 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL28795387 0.97 CCNT1 (0.38) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL28795255 0.94 SMN1; SMN2 (0.39) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL28795305 0.92 CCNT1 (0.40) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL28795212 0.91 SMN1; SMN2 (0.39) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL28795433 0.91 SMN1; SMN2 (0.38) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL25369846 0.89 MAPT (0.42) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL28795237 0.87 ALDH1A1 (0.43) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL25338911 0.86 MAPT (0.43) CCNT1CDK9LMNAKMT2ASMN1; SMN2
SCHEMBL28795204 0.86 SMN1; SMN2 (0.47) LMNAKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL28795202 0.86 SMN1; SMN2 (0.45) LMNAKMT2ASMN1; SMN2ALDH1A1HTT

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