SCHEMBL9999225

SCHEMBL9999225

O=C(O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1O

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.80
KDM4E B2RXH2 7/20 0.67
HPGD P15428 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.60
HSD17B10 Q99714 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TSHR P16473 3/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
IDO1 P14902 1/20 0.54
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL28637555 0.78 KMT2A (0.58) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL9996881 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL9997386 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL9996941 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL21999856 0.75 ALDH1A1 (0.70) ALDH1A1KDM4EHPGD
SCHEMBL9997384 0.75 LMNA (0.67) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL29540849 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL22252162 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL9997303 0.73 GLO1 (0.54) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL6079716 0.73 MEN1 (0.53) ALDH1A1KDM4EMAPK1LMNAMEN1

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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed