SCHEMBL9688399

SCHEMBL9688399

CC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.69
MAOA P21397 2/20 0.67
MAPK1 P28482 1/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NTSR1 P30989 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 2/20 0.52
POLB P06746 1/20 0.51
PLA2G4B P0C869 1/20 0.50
CYP19A1 P11511 1/20 0.50

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
SCHEMBL9687655 0.84 GSK3B (0.60) MAOBMAOAMAPTSMN1; SMN2LMNA
SCHEMBL3123036 0.80 MAOB (0.64) MAOBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8983023 0.79 SMN1; SMN2 (0.57) MAOBMAOAMAPTSMN1; SMN2NPC1
SCHEMBL29368594 0.77 ALDH1A1 (0.63) MAOBMAOAMAPTLMNANPC1
SCHEMBL965943 0.77 ALDH1A1 (0.63) MAOBMAOAMAPTLMNANPC1
SCHEMBL4944452 0.77 KMT2A (0.62) MAOBMAOAMAPTSMN1; SMN2LMNA
SCHEMBL9687632 0.76 MAPT (0.67) MAOBMAPTSMN1; SMN2LMNANPC1
Bicarbonate SCHEMBL5503301 0.75 CYP19A1 (0.65) MAPTNPSR1CYP19A1
SCHEMBL12381203 0.75 CYP19A1 (0.68) MAPTSMN1; SMN2LMNANPC1NFKB1
SCHEMBL11188627 0.74 MRGPRX4 (0.60) MAPK1MAPTSMN1; SMN2NPC1RAB9A

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-0472062-A1 Beta-lactam compounds, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-02-26 EP disclosed