SCHEMBL7288997

SCHEMBL7288997

O=Cc1cc(C(=O)c2cccc(Br)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
VCAM1 P19320 2/20 0.45
ERN1 O75460 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAOA P21397 1/20 0.44
COMT P21964 1/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 1/20 0.44
GLA P06280 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PARP1 P09874 1/20 0.41
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7287497 0.87 MAPT (0.50) MAPK1VCAM1ERN1MEN1KMT2A
SCHEMBL3364760 0.86 MAPK1 (0.64) MAPK1VCAM1ERN1MAOBALDH1A1
SCHEMBL7391355 0.81 MAPT (0.50) MAPK1ERN1MEN1KMT2AMAOA
SCHEMBL8943367 0.79 MAPT (0.47) MAPK1VCAM1MEN1KMT2ARAB9A
SCHEMBL7390018 0.79 ABCC3 (0.56) MAPK1VCAM1MEN1KMT2ACOMT
SCHEMBL7392802 0.79 TTR (0.56) MAPK1VCAM1ERN1ALDH1A1LMNA
SCHEMBL29709767 0.77 ERN1 (0.59) VCAM1ERN1ALDH1A1MAPT
SCHEMBL9022 0.77 ERN1 (0.59) VCAM1ERN1ALDH1A1MAPT
SCHEMBL6694236 0.77 ALDH1A1 (0.61) VCAM1ERN1MEN1KMT2AMAOA
SCHEMBL3053729 0.76 CASP6 (0.66) ERN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1030196-C Positive inotropic and lusitropic 3,5-dihydro-imidazo [2,1-6] quinazolin-2(1H)-one derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-11-01 CN disclosed
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
US-5220023-A Intermediates for inotropic agents JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-15 US disclosed
US-5120845-A Treating congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-09 US disclosed
US-5043327-A Treating mammals with congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-27 US disclosed
CN-1051560-A Contractile and relaxing force enhancing 3, 5-dihydroimidazo [2, 1-b ] quinazolin-2 (1H) -one derivatives JANSSEN PHARMACEUTICA NV (BE) 1991-05-22 CN 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