SCHEMBL9687655

SCHEMBL9687655

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.60
MAOB P27338 2/20 0.52
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NTSR1 P30989 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TLR3 O15455 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PLA2G4B P0C869 1/20 0.48
MAOA P21397 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.46
CCR5 P51681 1/20 0.46
AKR1C3 P42330 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL9688399 0.84 MAOB (0.69) MAOBMAPTSMN1; SMN2LMNANPC1
SCHEMBL8356708 0.81 NPC1 (0.64) GSK3BMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29935714 0.79 CTSV (0.56) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL273831 0.79 CTSV (0.56) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL8759755 0.78 MAPT (0.55) GSK3BMAOBMAPTSMN1; SMN2LMNA
SCHEMBL73490 0.77 GSK3B (1.00) GSK3BLMNA
SCHEMBL21436905 0.75 SMN1; SMN2 (0.64) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL23000101 0.75 MAOB (0.47) GSK3BMAOBMAPTSMN1; SMN2LMNA
SCHEMBL12112515 0.74 MRGPRX4 (0.74) GSK3BMAPTSMN1; SMN2LMNANPC1
SCHEMBL9687632 0.74 MAPT (0.67) MAOBMAPTSMN1; SMN2LMNANPC1

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