SCHEMBL2054075

SCHEMBL2054075

CNS(=O)(=O)c1ccc(C(O)(CC2CCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.32
GCK P35557 2/20 0.32
CHRM3 P20309 2/20 0.32
RORC P51449 9/20 0.32
MDM2 Q00987 1/20 0.32
GABRA2 P47869 1/20 0.32
KAT6A Q92794 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MERTK Q12866 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1959597 0.91 CCR2 (0.36) GCKCHRM3RORC
SCHEMBL1960340 0.90 GCK (0.36) GCKCHRM3
SCHEMBL1962132 0.88 GCK (0.32) GCKCHRM3RORC
SCHEMBL1961245 0.88 CHRM3 (0.33) GCKCHRM3
SCHEMBL1960337 0.87 GCK (0.33) GCKCHRM3RORC
SCHEMBL1959161 0.86 GCK (0.33) GCKCHRM3ALDH1A1
SCHEMBL27889561 0.86 FKBP1A (0.32) CHRM3
SCHEMBL27873097 0.86 NR1H3 (0.30) CHRM3
SCHEMBL1961501 0.77 GCK (0.45) GCKCHRM3ALDH1A1CYP2C19
SCHEMBL1962937 0.74 GCK (0.40) GCKCHRM3ALDH1A1CYP3A4CYP2C19

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-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed