SCHEMBL28307339

SCHEMBL28307339

Cc1cc(S(C)(=O)=O)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
TDP1 Q9NUW8 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 6/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 3/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL28307341 0.81 HTT (0.45) MAPTTDP1SMN1; SMN2LMNAHTT
SCHEMBL28307340 0.80 MAPT (0.39) MAPTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL31056280 0.79 MAPT (0.48) MAPTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL15972473 0.79 MAPT (0.41) MAPTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL7385881 0.79 MAPT (0.48) MAPTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL28306205 0.77 KMT2A (0.35) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL28307335 0.77 HTT (0.38) MAPTTDP1SMN1; SMN2LMNAHTT
SCHEMBL31569520 0.76 MAPT (0.45) MAPTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL5446122 0.76 MAPT (0.45) MAPTTDP1KMT2ARAB9ASMN1; SMN2
SCHEMBL28306200 0.75 GLP1R (0.33) MAPTTDP1KMT2ASMN1; SMN2MEN1

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