SCHEMBL4044404

SCHEMBL4044404

Cc1ccc(S(=O)(=O)n2cc(I)cn2)cc1.c1cc2cc(c1)OC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.39
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 2/20 0.32

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
SCHEMBL2574273 0.81 GRM4 (0.48) GRM4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4993025 0.68 GRM4 (0.51) GRM4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL5915293 0.67 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAPIK3CD
SCHEMBL27694314 0.66 JAK2 (0.42) JAK2JAK1TYK2JAK3
SCHEMBL422433 0.65 GRM4 (0.48) GRM4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL27463601 0.65 GRM4 (0.51) GRM4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL29493429 0.65 GAA (0.53) GRM4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1278809 0.65 MEN1 (0.54) GRM4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2578089 0.64 MAPT (0.57) GRM4MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL28832845 0.63 SMN1; SMN2 (0.46) GRM4MAPTSMN1; SMN2ALDH1A1LMNA

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-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO disclosed