SCHEMBL28306191

SCHEMBL28306191

CCOC(C)c1cc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 2/20 0.32
XDH P47989 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BLM P54132 1/20 0.31
GLP1R P43220 2/20 0.31
HTT P42858 1/20 0.31
CYP19A1 P11511 1/20 0.31
MGMT P16455 3/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL28306200 0.86 GLP1R (0.33) MAPTTDP1KDM4EMAPK1LMNA
SCHEMBL28307340 0.83 MAPT (0.39) MAPTTDP1ATMALDH1A1LMNA
SCHEMBL28307341 0.76 HTT (0.45) MAPTTDP1ATMALDH1A1LMNA
SCHEMBL28306176 0.75 KMT2A (0.37) MAPTTDP1MAPK1ALDH1A1LMNA
SCHEMBL28307339 0.72 MAPT (0.38) MAPTTDP1MAPK1ATMALDH1A1
SCHEMBL28307335 0.72 HTT (0.38) MAPTTDP1KDM4EALDH1A1LMNA
SCHEMBL28307334 0.70 TLR8 (0.37) MAPTTDP1ALDH1A1LMNAPOLB
SCHEMBL28306205 0.67 KMT2A (0.35) MAPTMAPK1ATMALDH1A1LMNA
SCHEMBL28306175 0.65 MAPT (0.43) MAPTTDP1MAPK1ALDH1A1LMNA
SCHEMBL28946160 0.62 MAPT (0.39) MAPTALDH1A1LMNAGLP1RHTT

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