SCHEMBL7292103

SCHEMBL7292103

O=C(O)c1cc(C=NO)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.54
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7292096 1.00 DTYMK (0.54) DTYMKKMT2AMEN1MAPTALDH1A1
SCHEMBL9630808 0.83 DTYMK (0.60) DTYMKCASP6TSHR
SCHEMBL27358645 0.82 MEN1 (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL27344177 0.82 MEN1 (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL2296668 0.78 MEN1 (0.58) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL2296673 0.78 MEN1 (0.58) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL2296058 0.78 CRHBP (0.57) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL2296057 0.78 CRHBP (0.57) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL10893358 0.75 PTPN1 (0.65) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL472739 0.74 MEN1 (0.62) KMT2AMEN1MAPTALDH1A1HPGD

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 4 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
US-5220023-A Intermediates for inotropic agents JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-15 US disclosed
US-5043327-A Treating mammals with congestive heart failure JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-27 US 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