SCHEMBL9997272

SCHEMBL9997272

COc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
ALDH1A1 P00352 9/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
PTPN5 P54829 1/20 0.59
TSHR P16473 2/20 0.57
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
GAA P10253 2/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
WDR5 P61964 1/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50

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
SCHEMBL19281339 0.91 LMNA (0.64) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL6673893 0.84 TSHR (0.60) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL15055685 0.84 LMNA (0.64) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL3500413 0.82 ALDH1A1 (0.69) LMNAALDH1A1MEN1KMT2APTPN5
SCHEMBL6674411 0.81 LMNA (0.67) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL9997084 0.80 LMNA (0.68) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL1249879 0.79 POLB (0.77) LMNAALDH1A1MEN1KMT2APTPN5
SCHEMBL15055353 0.79 TSHR (0.63) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL9045755 0.79 CA12 (0.76) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL6677289 0.78 TSHR (0.59) LMNAALDH1A1MEN1KMT2ATSHR

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