SCHEMBL2647140

SCHEMBL2647140

CS(=O)(=O)Cc1ccc(I)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
CCR2 P41597 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CSNK2A1 P68400 1/20 0.32
F10 P00742 1/20 0.31
KMT2A Q03164 2/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 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
SCHEMBL271296 0.83 IDO1 (0.49) IDO1ERCC1ERCC4KMT2AALDH1A1
SCHEMBL6011808 0.81 IDO1 (0.50) IDO1ERCC1ERCC4KMT2AALDH1A1
SCHEMBL13984189 0.78 IDO1 (0.55) IDO1SLC6A2SLC6A4CSNK2A1
SCHEMBL3653552 0.73 IDO1 (0.59) IDO1
SCHEMBL513342 0.72 ALDH1A1 (0.53) IDO1KMT2AALDH1A1NPC1MAPT
SCHEMBL26386090 0.71 CCR2 (0.47) IDO1CCR2
SCHEMBL24595029 0.71 IDO1 (0.52) IDO1SLC6A2SLC6A4ALDH1A1
SCHEMBL12002915 0.70 IDO1 (0.55) IDO1SLC6A2SLC6A4
SCHEMBL1640377 0.70 IDO1 (0.55) IDO1
SCHEMBL1858326 0.70 IDO1 (0.60) IDO1SLC6A2SLC6A4

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-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed