SCHEMBL708364

SCHEMBL708364

O=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
GFER P55789 1/20 0.65
NGLY1 Q96IV0 1/20 0.65
FABP4 P15090 1/20 0.54
AKR1C3 P42330 9/20 0.54
AKR1C2 P52895 9/20 0.54
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
TAS2R14 Q9NYV8 3/20 0.47
MPO P05164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK8 P45983 2/20 0.45
ALOX15 P16050 1/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL351705 0.89 MAPT (0.79) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL9172301 0.87 MAPT (0.76) MAPTGFERNGLY1FABP4AKR1C3
Hydrochloric Acid SCHEMBL28298843 0.82 MAPT (0.73) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL8833788 0.81 MAPT (0.67) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL8002116 0.81 MAPT (0.67) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL1415595 0.80 AKR1C3 (0.67) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL14598924 0.79 MAPT (0.65) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL11647944 0.79 MAPT (0.65) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL14349651 0.79 GFER (0.65) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL13271182 0.79 MAPT (0.65) MAPTGFERNGLY1FABP4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7880026-B2 preparing a reactant solution containing metal organic framework (MOF) precursors comprise Zn(NO3)2*6H2O and 4,4',4'',4'''-(21H,23H-porphine-5-10-15-20-tetrayl)tetrakis(benzoic acid), the reactant solution includes diethylformamide solvent, exposing to microwave to produce Zn-MOF crystal THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-01 US claimed
US-20090131643-A1 Rapid metal organic framework molecule synthesis method BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2009-05-21 US claimed
EP-1948353-A2 HIGH GAIN SELECTIVE PRECONCENTRATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-07-30 EP claimed
WO-2008057140-A2 RAPID METAL ORGANIC FRAMEWORK MOLECULE SYNTHESIS METHOD THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-05-15 WO claimed
WO-2007044473-A2 HIGH GAIN SELECTIVE PRECONCENTRATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-19 WO claimed
US-8123834-B2 High gain selective metal organic framework preconcentrators THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-28 US disclosed
US-7880026-B2 preparing a reactant solution containing metal organic framework (MOF) precursors comprise Zn(NO3)2*6H2O and 4,4',4'',4'''-(21H,23H-porphine-5-10-15-20-tetrayl)tetrakis(benzoic acid), the reactant solution includes diethylformamide solvent, exposing to microwave to produce Zn-MOF crystal THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-01 US disclosed
US-20100132547-A1 HIGH GAIN SELECTIVE METAL ORGANIC FRAMEWORK PRECONCENTRATORS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2010-06-03 US disclosed
US-20090131643-A1 Rapid metal organic framework molecule synthesis method BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2009-05-21 US disclosed
EP-1948353-A2 HIGH GAIN SELECTIVE PRECONCENTRATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-07-30 EP disclosed
WO-2008057140-A2 RAPID METAL ORGANIC FRAMEWORK MOLECULE SYNTHESIS METHOD THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-05-15 WO disclosed
WO-2007044473-A2 HIGH GAIN SELECTIVE PRECONCENTRATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-19 WO disclosed