SCHEMBL29035907

SCHEMBL29035907

[O]S(=O)(=O)C1NCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD1 P21728 3/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL30804802 0.83 ALDH1A1 (0.38) CYP2D6CYP3A4MEN1KMT2ADRD1
SCHEMBL6920787 0.83 CA1 (0.40) CA1CA2CYP2D6CYP3A4MEN1
SCHEMBL28267065 0.83 PNMT (0.37) CYP2D6CYP3A4MEN1KMT2ADRD1
SCHEMBL4746005 0.80 CYP2D6 (0.34) CYP2D6CYP3A4MEN1KMT2ADRD1
SCHEMBL2695009 0.80 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPRCP
SCHEMBL29383585 0.75 ALDH1A1 (0.45) KMT2ATP53ALDH1A1MAPTPRCP
SCHEMBL5708850 0.75 ALDH1A1 (0.45) KMT2ATP53ALDH1A1MAPTPRCP
SCHEMBL29644910 0.72 HTR6 (0.42) MEN1KMT2APKMTSHR
SCHEMBL359802 0.71 MAPK1 (0.42) CYP2D6CYP3A4MEN1KMT2ADRD1
SCHEMBL3113641 0.71 CHRNB2 (0.40) CYP2D6CYP3A4MEN1KMT2ADRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113748109-B Lanthionine C-like protein 2 ligands, cells prepared with said ligands and therapies using said ligands 朗多生物制药股份有限公司 2023-07-21 CN disclosed
CN-116368133-A NLRX1 ligand 朗多生物制药股份有限公司 2023-06-30 CN disclosed
CN-113748109-A Lanthionine C-like protein 2 ligands, cells prepared with said ligands and therapies using said ligands 朗多生物制药股份有限公司 2021-12-03 CN disclosed