SCHEMBL2952074

SCHEMBL2952074

COc1cc(C2CN(CC(C)=O)CCO2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD3 P35462 7/20 0.41
NPC1 O15118 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MAPT P10636 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
DRD4 P21917 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2957074 0.83 DRD3 (0.49) ALDH1A1DRD3ADRA2CADRA1B
SCHEMBL2952098 0.75 LMNA (0.50) MEN1KMT2ALMNAALDH1A1SIRT6
SCHEMBL20567915 0.74 MAPT (0.48) LMNAALDH1A1SIRT6MAPTADRA2A
SCHEMBL2077591 0.70 DRD3 (0.67) DRD3
SCHEMBL2773139 0.69 SIRT6 (0.55) MEN1KMT2AALDH1A1DRD3SIRT6
SCHEMBL520652 0.69 KMT2A (0.50) MEN1KMT2APKMLMNAALDH1A1
SCHEMBL27873292 0.69 CNR2 (0.48) MEN1KMT2AALDH1A1DRD3DRD4
SCHEMBL20490713 0.68 QDPR (0.60) LMNAALDH1A1SIRT6MAPTHTT
SCHEMBL20490700 0.68 CCR5 (0.45) MEN1KMT2ALMNAALDH1A1SIRT6
SCHEMBL2299650 0.68 KCNJ1 (0.47) MEN1KMT2AALDH1A1DRD4

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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed