SCHEMBL28945751

SCHEMBL28945751

CC(CCNc1ccc([N+](=O)[O-])c2nonc12)[N+](C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 1/20 0.59
HRH3 Q9Y5N1 2/20 0.55
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
MIF P14174 1/20 0.52
IDO1 P14902 4/20 0.50
MYC P01106 4/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
PSMD14 O00487 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAX P61244 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3049358 0.83 GSTM2 (0.64) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL28069116 0.81 GSTM2 (0.68) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL17781757 0.81 MEN1 (0.67) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL19222011 0.80 GSTM2 (0.67) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL12818156 0.79 GSTM2 (0.70) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL13252252 0.79 GSTM2 (0.73) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL18056296 0.79 GSTM2 (0.62) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL8427071 0.78 GSTM2 (0.68) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL8429536 0.78 GSTM2 (0.68) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL21239902 0.78 GSTM2 (0.68) GSTM2HRH3MEN1KMT2AUSP2

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-115667304-A Anti-human LAG-3 antibodies and their use in Immunohistochemistry (IHC) 安捷伦科技有限公司 2023-01-31 CN disclosed