SCHEMBL28360647

SCHEMBL28360647

CC(=O)N1CC(C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.56
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 3/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ SNCA P37840 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27580807 0.83 LMNA (0.44) NOTUMMAPTKDM4EHTTALDH1A1
SCHEMBL28356954 0.78 NOTUM (0.64) NOTUMMAPTKDM4EHTTLMNA
SCHEMBL10595973 0.77 MAPT (0.46) MAPTKDM4EHTTALDH1A1LMNA
SCHEMBL27999083 0.77 MAPT (0.44) NOTUMMAPTKDM4EHTTALDH1A1
SCHEMBL28360648 0.77 NOTUM (0.62) NOTUMMAPT
SCHEMBL26817417 0.77 NOTUM (0.62) NOTUMHTTALDH1A1
SCHEMBL11928844 0.76 MAPT (0.46) MAPTKDM4EHTTALDH1A1LMNA
SCHEMBL21008407 0.74 MAPT (0.45) NOTUMMAPTKDM4EHTTALDH1A1
SCHEMBL28360666 0.73 NOTUM (0.57) NOTUMALDH1A1
SCHEMBL19795361 0.73 CHRNA7 (0.45) MAPTKDM4EHTTALDH1A1LMNA

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-110804008-A 1, 3-disubstituted indoline derivative and preparation method thereof 陕西科技大学 2020-02-18 — — CN disclosed
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