SCHEMBL4037467

SCHEMBL4037467

CCc1c(-c2cn(-c3cc(C(=O)[N]c4cc(C(C)(C)C)ccc4OC)ccc3C)cn2)cnn1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.34
NR1I2 O75469 3/20 0.33
NR4A3 Q92570 1/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A2 P11168 1/20 0.32
SLC2A3 P11169 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
ALDH1A1 P00352 3/20 0.31
RIPK2 O43353 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL4031894 0.86 NR1I2 (0.43) MAPK14NR1I2
SCHEMBL303116 0.82 NR1I2 (0.40) MAPK14NR1I2
SCHEMBL4014620 0.82 NPC1 (0.46) MAPK14NR1I2SMN1; SMN2ALDH1A1MAPT
SCHEMBL4035781 0.80 MAPK14 (0.51) MAPK14NR4A3SMN1; SMN2TLR2TLR1
SCHEMBL4015967 0.80 MAPK14 (0.47) MAPK14NR4A3SMN1; SMN2ALDH1A1RIPK2
SCHEMBL302056 0.80 TP53 (0.46) MAPK14TLR2TLR1ALDH1A1PSEN1
SCHEMBL13848693 0.77 MAPK14 (0.40) MAPK14NR1I2RIPK2
SCHEMBL304557 0.77 MAPK14 (0.39) MAPK14NR1I2TLR2TLR1ALDH1A1
SCHEMBL4033769 0.77 MAPK14 (0.41) MAPK14NR1I2ALDH1A1RIPK2LMNA
SCHEMBL4034420 0.76 MAPK14 (0.40) MAPK14RIPK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP claimed