SCHEMBL6678591

SCHEMBL6678591

CN(C)c1cccc(C(=O)Nc2cc(N3C(=O)c4ccccc4C3=O)c(Cl)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK14 Q16539 2/20 0.47
GRM1 Q13255 4/20 0.46
GRM4 Q14833 3/20 0.46
GRM8 O00222 1/20 0.46
GRM5 P41594 1/20 0.46
GRM7 Q14831 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TP53 P04637 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPSE Q9Y251 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6681443 0.79 MAPT (0.57) MAPTKDM4EALDH1A1HPGDMAPK14
SCHEMBL6789421 0.77 FYN (0.39) MAPTKDM4EGRM1GRM4GRM7
SCHEMBL6789203 0.74 GRM1 (0.47) ALDH1A1GRM1GRM4GRM8GRM5
SCHEMBL6682097 0.73 MAPK14 (0.73) MAPTKDM4EALDH1A1HPGDMAPK14
SCHEMBL8115117 0.71 GRM1 (0.39) MAPTGRM1GRM4GRM8GRM5
SCHEMBL8082768 0.68 GRM1 (0.43) MAPTGRM1GRM4GRM8GRM5
SCHEMBL8082773 0.68 GRM1 (0.43) MAPTGRM1GRM4GRM8GRM5
SCHEMBL28943005 0.67 HDAC1 (0.60) GRM1POLB
SCHEMBL8970557 0.67 KCNK3 (0.70) MAPTKDM4EALDH1A1HPGDMAPK14
SCHEMBL3843730 0.66 CYP3A4 (0.57) GRM1GRM4GRM8GRM5GRM7

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-1077930-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-10 EP disclosed
US-6465455-B1 TUMOUR NECROSIS FACTOR AND INTERLEUKIN FAMILY INHIBITORS; INHIBITION OF ENZYME P38 KINASE; INFLAMMATION, IMMUNO-REGULATION, ALLERGIES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO disclosed