SCHEMBL28528958

SCHEMBL28528958

Cc1ccc(S(=O)(=O)n2cc(C(C)(O)c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.59
UBE2N P61088 1/20 0.59
HTR6 P50406 6/20 0.54
ALOX5 P09917 3/20 0.52
PTGS2 P35354 1/20 0.52
ALK Q9UM73 1/20 0.51
CYP19A1 P11511 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C1 Q04828 1/20 0.48
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KLK7 P49862 1/20 0.47
PLK1 P53350 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5413550 0.88 KDM4E (0.63) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL22339784 0.85 KDM4E (0.66) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL6089916 0.82 KDM4E (0.59) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL22339785 0.81 KDM4E (0.60) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL3615171 0.78 HTR6 (0.78) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL18125259 0.78 HTR6 (0.61) L3MBTL1KDM4EUBE2NHTR6LMNA
SCHEMBL7498766 0.77 L3MBTL1 (0.65) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL29414776 0.77 AKR1C3 (0.78) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL13302219 0.77 KDM4E (0.63) L3MBTL1KDM4EUBE2NHTR6ALOX5
SCHEMBL12748306 0.77 AKR1C3 (0.78) L3MBTL1KDM4EUBE2NHTR6ALOX5

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-112375104-A Phospholactone indole compound and preparation method thereof 苏州大学 2021-02-19 CN disclosed