SCHEMBL7052983

SCHEMBL7052983

O=[N+]([O-])NCc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.41
MAPT P10636 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 3/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.35
CYP1A2 P05177 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
HPGD P15428 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 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
SCHEMBL8688932 0.72 TSHR (0.55) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL515531 0.72 TXNRD1 (0.40) MAPTTDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL515657 0.71 ALDH1A1 (0.47) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL15643236 0.69 ALOX15 (0.53) SNCAMAPTTDP1ALDH1A1MEN1
SCHEMBL12658952 0.69 SNCA (0.50) SNCAMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL8461057 0.67 TSHR (0.59) SNCAMAPTTDP1ALDH1A1ALOX15
SCHEMBL8460305 0.67 SNCA (0.48) SNCAMAPTALDH1A1ALOX15ALOX12
SCHEMBL18043788 0.67 MEN1 (0.51) SNCAMAPTTDP1ALDH1A1MEN1
SCHEMBL26977016 0.66 SNCA (0.47) SNCAMAPTTDP1ALDH1A1MEN1
SCHEMBL29678067 0.66 SNCA (0.52) SNCAMAPTTDP1ALDH1A1MEN1

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
US-6825040-B2 APPARTUS FOR USE IN THE DETECTION OF ACIDS IN SAMPLE MAINSTREAM ENGINEERING CORPORATION 2004-11-30 US claimed