SCHEMBL28306167

SCHEMBL28306167

Cc1nc(N)c([N+](=O)[O-])c(S)c1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 5/20 0.44
MGMT P16455 1/20 0.44
LMNA P02545 6/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL28306384 0.81 PKM (0.35) SMN1; SMN2MAPTMGMTLMNAHPGD
SCHEMBL28307342 0.78 PKM (0.37) SMN1; SMN2MAPTMGMTLMNAHPGD
SCHEMBL28306158 0.71 PKM (0.41) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL8562456 0.69 CYP3A4 (0.43) SMN1; SMN2MAPTMGMTLMNAHPGD
SCHEMBL28306175 0.68 MAPT (0.43) SMN1; SMN2MAPTMGMTLMNAHPGD
SCHEMBL27196616 0.66 MAPT (0.49) SMN1; SMN2MAPTMGMTLMNAHPGD
SCHEMBL520852 0.66 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNAHPGDKMT2A
SCHEMBL202892 0.65 MAPT (0.48) SMN1; SMN2MAPTMGMTLMNAHPGD
SCHEMBL8562265 0.65 MAPT (0.48) SMN1; SMN2MAPTMGMTLMNAHPGD
Water SCHEMBL9043626 0.65 TLR7 (0.41) ALDH1A1NPSR1TLR8TLR7

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 1 patent. 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 disclosed