SCHEMBL5822647

SCHEMBL5822647

CC(C)(C)c1cccc(C(C)(C)C)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.52
IL1RN P18510 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
FFAR4 Q5NUL3 1/20 0.51
CYTH2 Q99418 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
UQCRB P14927 1/20 0.45
G6PD P11413 1/20 0.45
HTR6 P50406 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL10224268 0.84 ALDH1A1 (0.57) KEAP1IL1RNERAP1ALDH1A1MEN1
SCHEMBL5161205 0.78 TSHR (0.55) KEAP1FFAR4CYTH2ALDH1A1MEN1
SCHEMBL11676191 0.75 CYTH2 (0.65) KEAP1IL1RNERAP1FFAR4CYTH2
SCHEMBL2616417 0.75 METAP2 (0.62) KEAP1FFAR4ALDH1A1GAALMNA
SCHEMBL5822638 0.75 FFAR4 (0.72) KEAP1IL1RNERAP1FFAR4CYTH2
SCHEMBL13615049 0.74 CYTH2 (0.59) KEAP1IL1RNERAP1FFAR4CYTH2
SCHEMBL2616416 0.74 METAP2 (0.57) KEAP1FFAR4ALDH1A1LMNA
SCHEMBL5796892 0.73 PKM (0.57) KEAP1IL1RNERAP1FFAR4CYTH2
SCHEMBL6817587 0.73 KEAP1 (0.56) KEAP1IL1RNERAP1FFAR4CYTH2
SCHEMBL13615341 0.73 ALDH1A1 (0.71) KEAP1IL1RNERAP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed