SCHEMBL19329675

SCHEMBL19329675

CC(C)(C)OC(=O)n1nccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
BCHE P06276 1/20 0.34
NR1H2 P55055 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
KCNH2 Q12809 1/20 0.33
NR1D1 P20393 1/20 0.33
ESR2 Q92731 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 1/20 0.32

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
SCHEMBL21296782 0.76 PDE4B (0.41) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL693588 0.76 FAAH (0.41) ALDH1A1FAAHPOLBELANESMN1; SMN2
SCHEMBL19329917 0.75 F2 (0.35) ALDH1A1MAPTLMNAPOLBELANE
SCHEMBL22951279 0.74 FAAH (0.40) FAAHPOLBELANESMN1; SMN2MAPK1
SCHEMBL22501848 0.74 ELANE (0.44) FAAHPOLBELANESMN1; SMN2MAPK1
SCHEMBL1864917 0.74 FAAH (0.40) FAAHPOLBELANESMN1; SMN2MAPK1
SCHEMBL21296822 0.74 ALDH1A1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2CYP2C19
SCHEMBL22233152 0.73 FAAH (0.39) FAAHPOLBELANEMEN1KMT2A
SCHEMBL28739878 0.73 ELANE (0.42) FAAHPOLBELANESMN1; SMN2MAPK1
SCHEMBL362915 0.72 FAAH (0.38) FAAHPOLBELANEMEN1KMT2A

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
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed