SCHEMBL2935913

SCHEMBL2935913

COc1cc(C)c(S(=O)(=O)NCCO)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
FABP4 P15090 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PKM P14618 2/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NR2F2 P24468 1/20 0.40
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 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
SCHEMBL4080617 0.80 F2 (0.56) ALDH1A1FABP4PKMKDM4EHPGD
SCHEMBL13495628 0.80 ALDH1A1 (0.46) ALDH1A1FABP4MEN1KMT2AL3MBTL1
SCHEMBL13017279 0.80 FABP4 (0.46) ALDH1A1FABP4KMT2AL3MBTL1LMNA
SCHEMBL10246261 0.79 SMN1; SMN2 (0.48) ALDH1A1FABP4MEN1KMT2AFFAR4
SCHEMBL10008677 0.79 FABP4 (0.48) ALDH1A1FABP4MEN1KMT2AL3MBTL1
SCHEMBL4000323 0.78 TSHR (0.40) ALDH1A1MEN1KMT2AL3MBTL1FFAR4
SCHEMBL11440692 0.77 FABP4 (0.60) ALDH1A1FABP4MEN1KMT2AL3MBTL1
SCHEMBL6279227 0.77 TSHR (0.42) ALDH1A1L3MBTL1FFAR4TSHRHPGD
SCHEMBL10118749 0.77 BRD4 (0.43) FABP4CA1CA2
SCHEMBL21569720 0.77 L3MBTL1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1PKM

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-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed