SCHEMBL2548864

SCHEMBL2548864

CCCCOC(=O)Nc1cc(CCOc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 4/20 0.43
MAPK14 Q16539 4/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MAPK12 P53778 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GAA P10253 2/20 0.38
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT1 P42224 1/20 0.37

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
SCHEMBL2572968 0.87 HCK (0.52) HCKMAPK14MAPK12SMN1; SMN2RAB9A
SCHEMBL2405629 0.86 MAPK14 (0.48) HCKMAPK14MAPK12SMN1; SMN2RAB9A
SCHEMBL1978086 0.85 MAPK14 (0.48) HCKMAPK14MAPK12SMN1; SMN2RAB9A
SCHEMBL1978082 0.85 MAPK14 (0.48) HCKMAPK14MAPK12SMN1; SMN2RAB9A
SCHEMBL17017617 0.77 ALDH1A1 (0.36) HCKMAPK14AKR1C3AKR1C2AKR1C1
SCHEMBL2406235 0.76 RAB9A (0.41) HCKMAPK14MAPK12SMN1; SMN2RAB9A
SCHEMBL15963830 0.76 NPC1 (0.50) AKR1C3AKR1C2AKR1C1SMN1; SMN2RAB9A
SCHEMBL28705015 0.76 SMN1; SMN2 (0.46) HCKMAPK14MAPK12SMN1; SMN2RAB9A
SCHEMBL12634044 0.75 CYP11B1 (0.47) HCKMAPK14MAPK12RAB9ANPC1
SCHEMBL2309475 0.75 POLB (0.45) HCKMAPK14MAPK12SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556067-A2 PYRAZOLYL UREAS AS P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011124923-A2 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed