SCHEMBL2641940

SCHEMBL2641940

CN(C(=O)O)c1ccc(/C=C/c2cccnc2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.42
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MITF O75030 1/20 0.35
NQO2 P16083 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL2641790 0.86 MAPT (0.50) SNCAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2641785 0.86 MAPT (0.50) SNCAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL12185978 0.85 SNCA (0.39) SNCAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2641953 0.81 SNCA (0.46) SNCAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8561733 0.80 TAAR1 (0.47) SNCAALDH1A1MEN1KMT2AMAPT
SCHEMBL2641810 0.80 SNCA (0.48) SNCAALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2641877 0.80 SNCA (0.48) SNCAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2641852 0.80 SNCA (0.46) SNCAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2641871 0.79 MAPT (0.39) SNCAALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL2641830 0.78 BACE1 (0.40) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO claimed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed