SCHEMBL28296929

SCHEMBL28296929

O=S(=O)(Oc1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.75
TDP1 Q9NUW8 2/20 0.75
LMNA P02545 2/20 0.75
HTT P42858 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
GAA P10253 1/20 0.69
MAPK1 P28482 1/20 0.69
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
PPARG P37231 1/20 0.51
MAOB P27338 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
ENPP3 O14638 2/20 0.48
ENPP1 P22413 2/20 0.48

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
SCHEMBL6746327 0.92 L3MBTL1 (0.65) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL2473745 0.89 L3MBTL1 (0.60) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL14029074 0.89 TDP1 (0.75) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL29930612 0.88 L3MBTL1 (0.60) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL2064679 0.87 L3MBTL1 (0.59) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL29870275 0.86 L3MBTL1 (0.77) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL10880148 0.86 TDP1 (0.71) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL6882887 0.86 L3MBTL1 (0.77) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL2064683 0.86 L3MBTL1 (0.58) L3MBTL1TDP1LMNAHTTSMN1; SMN2
SCHEMBL22558337 0.86 L3MBTL1 (0.62) L3MBTL1TDP1LMNAHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106279121-B The salt and crystal form or amorphous article, preparation method, pharmaceutical composition and purposes containing them of a kind of compound 杭州普晒医药科技有限公司 2019-05-24 CN disclosed