SCHEMBL4055941

SCHEMBL4055941

O=[N+]([O-])c1cccc(CCN2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.68
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 3/20 0.56
KCNJ1 P48048 3/20 0.54
KCNH2 Q12809 2/20 0.54
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MGLL Q99685 1/20 0.51
CTSB P07858 1/20 0.50
PKM P14618 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
SCHEMBL3213343 0.87 SIGMAR1 (0.73) SIGMAR1ALDH1A1KCNJ1KCNH2HRH3
SCHEMBL1802599 0.86 SIGMAR1 (0.71) SIGMAR1KMT2AMEN1ALDH1A1KCNJ1
SCHEMBL30560053 0.86 ALDH1A1 (0.67) KMT2AMEN1POLBALDH1A1KCNJ1
SCHEMBL10554480 0.86 SIGMAR1 (0.71) SIGMAR1KMT2AMEN1ALDH1A1KCNJ1
SCHEMBL357155 0.86 ALDH1A1 (0.67) KMT2AMEN1POLBALDH1A1KCNJ1
SCHEMBL4572914 0.83 KCNJ1 (0.70) SIGMAR1ALDH1A1KCNJ1KCNH2HRH3
SCHEMBL12610811 0.83 SIGMAR1 (0.75) SIGMAR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL852960 0.82 KCNJ1 (0.79) SIGMAR1KMT2AMEN1POLBALDH1A1
SCHEMBL20272175 0.82 SIGMAR1 (0.79) SIGMAR1KMT2AMEN1POLBALDH1A1
SCHEMBL17767858 0.80 SIGMAR1 (0.57) SIGMAR1KMT2AMEN1POLBALDH1A1

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
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed