SCHEMBL5204927

SCHEMBL5204927

O=C(NC1CC1)C1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
EPHX1 P07099 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
NAMPT P43490 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL3549222 1.00 EPHX2 (0.50) EPHX2MAPTALDH1A1ALOX12HTT
SCHEMBL3554528 0.86 MAPT (0.48) MAPTALDH1A1ALOX12HTTMMP2
SCHEMBL9660476 0.82 MAPT (0.56) MAPTALDH1A1TDP1POLBMCHR1
SCHEMBL3552399 0.82 MAPT (0.56) MAPTALDH1A1TDP1POLBMCHR1
SCHEMBL3552397 0.82 MAPT (0.56) MAPTALDH1A1TDP1POLBMCHR1
SCHEMBL3557292 0.81 KDM4E (0.44) ALDH1A1EPHX1KDM4EMAPK1
SCHEMBL3885054 0.81 MAPT (0.61) MAPTALDH1A1HTTPOLBMMP2
SCHEMBL28149835 0.79 MAPT (0.44) MAPTALDH1A1TDP1POLBMCHR1
SCHEMBL30480375 0.79 MAPT (0.42) MAPTALDH1A1MMP2MMP9MCHR1
SCHEMBL3552676 0.78 MAPT (0.50) MAPTALDH1A1MCHR1MAPK1KMT2A

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed