SCHEMBL4605899

SCHEMBL4605899

Cc1n[nH]c(Cl)c1S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.54
EDNRA P25101 3/20 0.44
EDNRB P24530 2/20 0.44
HSD11B1 P28845 4/20 0.43
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BRD4 O60885 1/20 0.37
FFAR2 O15552 1/20 0.36

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
SCHEMBL2123876 0.71 HSD11B1 (0.59) AKR1B1HSD11B1NFE2L2
SCHEMBL248010 0.71 HSD11B1 (0.59) AKR1B1HSD11B1NFE2L2
SCHEMBL30697126 0.71 HSD11B1 (0.59) AKR1B1HSD11B1NFE2L2
SCHEMBL11340710 0.70 HSD11B1 (0.50) AKR1B1HSD11B1HTR6NFE2L2PTGDR2
SCHEMBL6207180 0.70 AKR1B1 (1.00) AKR1B1
SCHEMBL2425281 0.69 CYP2C9 (0.34)
SCHEMBL28504171 0.66 GAA (0.52) AKR1B1HSD11B1HTR6NFE2L2
SCHEMBL28543840 0.66 HSD11B1 (0.69) HSD11B1KDM4E
SCHEMBL9475449 0.66 HSD11B1 (0.75) AKR1B1HSD11B1HTR6
SCHEMBL23746991 0.65 BRD4 (0.50) EDNRAEDNRBBRD4

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 6 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
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 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
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 WO disclosed