SCHEMBL29155192

SCHEMBL29155192

Nc1cccc(OS(=O)(=O)c2ccc(CCc3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
MAOA P21397 4/20 0.51
PRMT1 Q99873 2/20 0.48
F2 P00734 3/20 0.47
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CA7 P43166 1/20 0.41
FAAH O00519 1/20 0.41
CA4 P22748 1/20 0.40

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
SCHEMBL6666074 0.86 ALDH1A1 (0.55) MAOBF2SMN1; SMN2ALDH1A1CA1
SCHEMBL29673592 0.86 ALDH1A1 (0.55) MAOBF2SMN1; SMN2ALDH1A1CA1
SCHEMBL19470809 0.83 HTR6 (0.47) MAOBSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL29078035 0.81 MAOA (0.52) MAOBMAOAF2SMN1; SMN2ALDH1A1
SCHEMBL29155267 0.80 GPR17 (0.61) HTT
SCHEMBL6470176 0.79 ALDH1A1 (0.52) MAOBF2SMN1; SMN2ALDH1A1CA2
SCHEMBL19834314 0.78 LMNA (0.57) MAOBF2CYP19A1SMN1; SMN2ALDH1A1
SCHEMBL11309927 0.78 LMNA (0.63) MAOBCYP19A1SMN1; SMN2ALDH1A1CA1
SCHEMBL8761645 0.78 L3MBTL1 (0.55) MAOBF2SMN1; SMN2ALDH1A1CA1
Hydrochloric Acid SCHEMBL8641512 0.77 LMNA (0.55) MAOBF2CYP19A1SMN1; SMN2ALDH1A1

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-117511247-A Disperse dye ink dispersing agent and application thereof 沈阳化工研究院有限公司 2024-02-06 CN disclosed