SCHEMBL28306200

SCHEMBL28306200

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.33
MAPT P10636 7/20 0.32
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TXNRD1 Q16881 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPY1R P25929 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XDH P47989 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
MGMT P16455 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL28307340 0.86 MAPT (0.39) GLP1RMAPTTDP1NPSR1NPY1R
SCHEMBL28306191 0.86 MAPT (0.33) GLP1RMAPTTDP1KDM4EMAPK1
SCHEMBL28306176 0.78 KMT2A (0.37) MAPTTDP1MAPK1NPSR1NPY1R
SCHEMBL28307339 0.75 MAPT (0.38) MAPTTDP1MAPK1MEN1CYP3A4
SCHEMBL28307341 0.73 HTT (0.45) MAPTTDP1NPY1RSMN1; SMN2MGMT
SCHEMBL28306205 0.69 KMT2A (0.35) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL28307335 0.69 HTT (0.38) GLP1RMAPTTDP1KDM4ENPY1R
SCHEMBL28307334 0.68 TLR8 (0.37) MAPTTDP1TXNRD1NPSR1NPY1R
SCHEMBL24156059 0.62 LMNA (0.36) SMN1; SMN2LMNA
SCHEMBL24156659 0.62 GLP1R (0.33) GLP1RSMN1; SMN2LMNA

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