SCHEMBL28307340

SCHEMBL28307340

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPY1R P25929 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GLP1R P43220 2/20 0.35
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
ATM Q13315 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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) MAPTMEN1KMT2ASMN1; SMN2NPY1R
SCHEMBL28306176 0.83 KMT2A (0.37) MAPTMEN1KMT2ASMN1; SMN2NPY1R
SCHEMBL28306191 0.83 MAPT (0.33) MAPTMEN1KMT2ATDP1GLP1R
SCHEMBL28307339 0.80 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL28307341 0.77 HTT (0.45) MAPTSMN1; SMN2NPY1RTDP1LMNA
SCHEMBL28306205 0.74 KMT2A (0.35) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28307335 0.74 HTT (0.38) MAPTSMN1; SMN2NPY1RTDP1GLP1R
SCHEMBL28307334 0.71 TLR8 (0.37) MAPTMEN1KMT2ASMN1; SMN2NPY1R
SCHEMBL28247251 0.68 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2NPY1R
SCHEMBL21625495 0.67 PDK1 (0.34) MAPTMEN1KMT2ASMN1; SMN2NPY1R

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