SCHEMBL7299152

SCHEMBL7299152

O=C(O)CNCc1cc(C(=O)c2cccc(Br)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GLA P06280 1/20 0.43
VCAM1 P19320 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
NOD2 Q9HC29 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL7290618 0.89 MAPK1 (0.56) MAPK1MEN1KMT2AVCAM1ALDH1A1
SCHEMBL7289003 0.89 MEN1 (0.43) MEN1KMT2AGLAALDH1A1MAPT
SCHEMBL7289010 0.89 MEN1 (0.43) MEN1KMT2AGLAALDH1A1MAPT
SCHEMBL9583479 0.89 MEN1 (0.43) MEN1KMT2AGLAALDH1A1MAPT
SCHEMBL9585048 0.86 LMNA (0.46) MAPK1MEN1KMT2AGLAALDH1A1
SCHEMBL7644495 0.84 MAPT (0.41) MAPK1MEN1KMT2AALDH1A1MAPT
SCHEMBL7290407 0.82 ABCC3 (0.48) MAPK1MEN1KMT2AVCAM1ALDH1A1
SCHEMBL7297457 0.80 MAPK1 (0.56) MAPK1MEN1KMT2AVCAM1ALDH1A1
SCHEMBL9585054 0.78 MAPK1 (0.43) MAPK1MEN1KMT2AGLAVCAM1
SCHEMBL9585074 0.78 LMNA (0.48) MAPK1MEN1KMT2AVCAM1ALDH1A1

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-0406958-B1 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-03-15 EP disclosed
EP-0406958-A2 Positive inotropic and lusitropic 3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-09 EP disclosed