SCHEMBL28306158

SCHEMBL28306158

Cc1nc(N)c([N+](=O)[O-])c(S)c1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
MAPT P10636 6/20 0.34
LMNA P02545 5/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 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
SCHEMBL3667953 0.82 PKM (0.44) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL28307342 0.80 PKM (0.37) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL9202861 0.79 PKM (0.44) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL28306384 0.77 PKM (0.35) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL2690381 0.77 MAPT (0.44) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL11834710 0.76 PKM (0.44) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL28306166 0.75 KMT2A (0.38) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL1625081 0.74 LMNA (0.55) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL8873122 0.74 PKM (0.41) PKMMAPTLMNAHTTSMN1; SMN2
SCHEMBL3674616 0.72 PKM (0.46) PKMMAPTLMNAHTTSMN1; SMN2

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