SCHEMBL28306166

SCHEMBL28306166

Cc1nc(N)c([N+](=O)[O-])c(S)c1C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
MEN1 O00255 6/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ATM Q13315 3/20 0.32
BLM P54132 2/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NPC1 O15118 2/20 0.32
HTT P42858 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL28306158 0.75 PKM (0.41) KMT2AMEN1PKMALDH1A1NPC1
SCHEMBL28307342 0.70 PKM (0.37) KMT2AMEN1PKMALDH1A1ATM
SCHEMBL28306384 0.68 PKM (0.35) KMT2AMEN1PKMALDH1A1ATM
SCHEMBL3667953 0.66 PKM (0.44) KMT2APKMALDH1A1NPC1HTT
SCHEMBL9202861 0.66 PKM (0.44) KMT2APKMALDH1A1NPC1HTT
SCHEMBL2690381 0.64 MAPT (0.44) KMT2AMEN1PKMALDH1A1NPC1
SCHEMBL27952825 0.64 CDK2 (0.55) KMT2ACCNA2CDK2CCNA1MEN1
SCHEMBL11834710 0.63 PKM (0.44) KMT2APKMALDH1A1NPC1HTT
SCHEMBL27930543 0.63 PKM (0.44) KMT2AMEN1PKMALDH1A1NPC1
SCHEMBL9465187 0.62 PKM (0.44) CCNA2CDK2CCNA1PKMALDH1A1

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