SCHEMBL28307335

SCHEMBL28307335

CCCc1cc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
POLB P06746 1/20 0.38
PIM3 Q86V86 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
NPY1R P25929 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLP1R P43220 1/20 0.32
BACE1 P56817 1/20 0.32
MGMT P16455 4/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL28307334 0.92 TLR8 (0.37) HTTPOLBNPY1RSMN1; SMN2GAA
SCHEMBL28307341 0.90 HTT (0.45) HTTPOLBHRH4NPY1RSMN1; SMN2
SCHEMBL28306175 0.83 MAPT (0.43) HTTPOLBSMN1; SMN2TDP1MGMT
SCHEMBL28307339 0.77 MAPT (0.38) HTTSMN1; SMN2GAATDP1LMNA
SCHEMBL28946189 0.77 HTT (0.35) HTTPOLBPIM3SMN1; SMN2GAA
SCHEMBL28307340 0.74 MAPT (0.39) HTTPOLBHRH4NPY1RSMN1; SMN2
SCHEMBL28306191 0.72 MAPT (0.33) HTTPOLBTDP1KDM4EGLP1R
SCHEMBL28306205 0.71 KMT2A (0.35) HTTHRH4SMN1; SMN2LMNAMAPT
SCHEMBL8558130 0.70 NOS2 (0.44) HTTNPY1RSMN1; SMN2KDM4EMGMT
SCHEMBL28306200 0.69 GLP1R (0.33) HTTNPY1RSMN1; SMN2TDP1KDM4E

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