SCHEMBL28906292

SCHEMBL28906292

O=S(=O)(O)OS(=O)(=O)ON1CCNCCNCCNCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
NFKB1 P19838 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL4097938 0.81 LMNA (0.39) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL28535571 0.74 KDM4E (0.34) LMNAKDM4E
Piperazine SCHEMBL6284726 0.73 TSHR (0.42) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL6260311 0.73 TSHR (0.42) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL27272 0.73 KDM4E (0.37) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL27782853 0.69 LMNA (0.32) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL1684239 0.69 KDM4E (0.37) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL28266642 0.69 KDM4E (0.32) KDM4E
Piperazine SCHEMBL28910517 0.68 LMNA (0.31) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL28134578 0.67 KDM4E (0.35) KDM4E

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-112159497-B Preparation method of fluorine-silicon modified butyronitrile latex applied to medical butyronitrile gloves 湖北分聚新材料有限公司 2022-12-06 CN disclosed