SCHEMBL28306387

SCHEMBL28306387

CCCCc1cc(S)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.42
TLR7 Q9NYK1 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
BACE1 P56817 1/20 0.35
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
IKBKB O14920 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL28307343 0.91 BACE1 (0.43) NOS2TLR7MEN1KMT2ALMNA
SCHEMBL28306160 0.85 HTT (0.39) NOS2MEN1KMT2ALMNAHTT
SCHEMBL28306168 0.72 CCNA2 (0.42) NOS2MEN1KMT2ALMNAHTT
SCHEMBL28306171 0.71 MAPT (0.38) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL28307334 0.69 TLR8 (0.37) NOS2TLR7MEN1KMT2ALMNA
SCHEMBL562804 0.68 ALDH1A1 (0.41) NOS2TLR7ALDH1A1
SCHEMBL12484988 0.67 NOS2 (0.35) NOS2TLR7MEN1KMT2ALMNA
SCHEMBL16182532 0.67 MAPT (0.41) TLR7MEN1KMT2ALMNAHTT
SCHEMBL563635 0.67 GPR84 (0.39) ESR1
SCHEMBL11238635 0.65 KCNH2 (0.38) NOS2ALDH1A1MAPT

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
CN-109970633-A Pyridine sulfone and its derivative, preparation method and application 湖南化工研究院有限公司 2019-07-05 CN claimed
CN-109970633-A Pyridine sulfone and its derivative, preparation method and application 湖南化工研究院有限公司 2019-07-05 CN disclosed