SCHEMBL29953371

SCHEMBL29953371

O=Cc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.64
MAPT P10636 5/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALOX12 P18054 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
AGTR1 P30556 1/20 0.44
HPGD P15428 2/20 0.42
HSPB1 P04792 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CXCR5 P32302 1/20 0.42

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
SCHEMBL286351 1.00 SLC2A1 (0.64) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL1546237 0.82 SLC2A1 (0.62) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL27875451 0.82 SLC2A1 (0.62) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL9000418 0.79 SLC2A1 (0.58) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL25042631 0.78 SLC2A1 (1.00) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL30275251 0.78 SLC2A1 (1.00) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL30275111 0.78 SLC2A1 (1.00) SLC2A1MAPTADRA2AADRA2BADRA2C
SCHEMBL14988861 0.77 MAPT (0.56) SLC2A1MAPTALDH1A1LMNAKMT2A
SCHEMBL14988862 0.77 MAPT (0.56) SLC2A1MAPTALDH1A1LMNAKMT2A
SCHEMBL20337186 0.77 SLC2A1 (0.59) SLC2A1MAPTADRA2AADRA2BADRA2C

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed