SCHEMBL28945752

SCHEMBL28945752

CC(N)C(Cc1ccc([N+](=O)[O-])c2nonc12)[N+](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 9/20 0.43
GSTP1 P09211 8/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 2/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
IDO1 P14902 5/20 0.40
G6PD P11413 1/20 0.39
CASP6 P55212 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MYC P01106 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28945749 0.86 GSTM2 (0.46) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL25868523 0.82 GSTM2 (0.51) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL10089701 0.75 GSTM2 (0.56) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL8788825 0.74 GSTM2 (0.51) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL7052057 0.72 GSTM2 (0.66) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL28945748 0.71 GSTM2 (0.46) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL17571734 0.70 GSTP1 (0.42) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL306168 0.69 MEN1 (0.56) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL18056297 0.68 GSTP1 (0.55) GSTM2GSTP1MEN1KMT2AUSP2
SCHEMBL28945751 0.68 GSTM2 (0.59) GSTM2MEN1KMT2AUSP2POLB

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