SCHEMBL7020138

SCHEMBL7020138

O=[N+]([O-])c1cc(Cl)cnc1Nc1c[c]ccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.51
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PIN1 Q13526 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
GSK3B P49841 1/20 0.40
JAK2 O60674 1/20 0.40
EGFR P00533 3/20 0.39
APP P05067 1/20 0.38
PRKCQ Q04759 1/20 0.37
CTSC P53634 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL6386431 0.85 TDP1 (0.44) AHRMAPK1POLBMAPTPIN1
SCHEMBL29024613 0.80 PIN1 (0.72) MAPTPIN1GSK3B
SCHEMBL6384912 0.80 PIN1 (0.45) AHRMAPK1POLBMAPTPIN1
SCHEMBL7016759 0.78 PIN1 (0.43) AHRMAPK1POLBMAPTPIN1
SCHEMBL6384523 0.78 EGFR (0.38) EGFR
SCHEMBL7014672 0.77 GSK3B (0.42) MAPK1POLBMAPTPIN1TDP1
SCHEMBL7019391 0.77 GSK3B (0.42) MAPK1POLBMAPTPIN1TDP1
SCHEMBL11429763 0.76 MAPT (0.59) AHRMAPK1POLBMAPTPIN1
SCHEMBL4907589 0.76 TDP1 (0.57) AHRMAPK1POLBMAPTPIN1
SCHEMBL6384395 0.75 GSK3B (0.40) MAPK1POLBMAPTPIN1TDP1

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-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed