SCHEMBL28307334

SCHEMBL28307334

CCCCc1cc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.37
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL28307335 0.92 HTT (0.38) HTTPOLBLMNAMAPTSMN1; SMN2
SCHEMBL28307341 0.87 HTT (0.45) HTTPOLBLMNAL3MBTL1MAPT
SCHEMBL28306175 0.81 MAPT (0.43) HTTPOLBLMNAKMT2AL3MBTL1
SCHEMBL28307339 0.75 MAPT (0.38) HTTMEN1LMNAKMT2AMAPT
SCHEMBL28307340 0.71 MAPT (0.39) HTTPOLBMEN1LMNAKMT2A
SCHEMBL27766587 0.71 HTT (0.44) TLR8HTTMEN1LMNAKMT2A
SCHEMBL28306191 0.70 MAPT (0.33) HTTPOLBMEN1LMNAKMT2A
SCHEMBL10526558 0.70 ALDH1A1 (0.39) HTTPOLBKMT2AL3MBTL1MAPT
SCHEMBL6763394 0.70 ALDH1A1 (0.46) HTTPOLBKMT2AL3MBTL1MAPT
SCHEMBL28946189 0.69 HTT (0.35) HTTPOLBLMNAKMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970633-B Pyridine sulfone and derivative, preparation method and application thereof 湖南化工研究院有限公司 2022-12-27 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 claimed
CN-109970633-B Pyridine sulfone and derivative, preparation method and application thereof 湖南化工研究院有限公司 2022-12-27 CN disclosed
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