SCHEMBL4606513

SCHEMBL4606513

Cc1n[nH]cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.47
KDM4E B2RXH2 4/20 0.43
PKM P14618 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MET P08581 1/20 0.43
AKR1B1 P15121 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL7144417 0.79 HTR6 (0.52) HTR6KDM4EPKMALDH1A1MET
SCHEMBL4637602 0.79 HTR6 (0.45) HTR6KDM4EPKMALDH1A1MET
SCHEMBL5224094 0.76 NPSR1 (0.45) HTR6KDM4EPKMALDH1A1MET
SCHEMBL16882344 0.75 HTR6 (0.45) HTR6KDM4EALDH1A1AKR1B1ABCB1
SCHEMBL2921045 0.71 TRPV4 (0.32) ALDH1A1
SCHEMBL27678863 0.70 KMT2A (0.54) HTR6KDM4EPKMALDH1A1MET
SCHEMBL8080841 0.69 HTR6 (0.72) HTR6KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL1713160 0.69 HTR6 (0.57) HTR6KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4400959 0.69 HTR6 (0.56) HTR6KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL31092469 0.69 HTR6 (0.57) HTR6KDM4EALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
EP-1937645-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-02 EP disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 WO disclosed
WO-2007045868-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-26 WO disclosed