SCHEMBL5201129

SCHEMBL5201129

O=C(OC(=O)[C@@H]1CCCN1)C1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SLC6A3 Q01959 1/20 0.40
MCHR1 Q99705 4/20 0.38
ADRB1 P08588 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
NPBWR1 P48145 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP4 P27487 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
Proline SCHEMBL5201122 0.84 SMN1; SMN2 (0.46) MAPTSLC6A3MCHR1ADRB1SIRT6
Proline SCHEMBL5201120 0.84 SMN1; SMN2 (0.46) MAPTSLC6A3MCHR1ADRB1SIRT6
SCHEMBL3885054 0.79 MAPT (0.61) MAPTSLC6A3MCHR1NPBWR1ALDH1A1
SCHEMBL4714684 0.76 MAPT (0.53) MAPTMCHR1NPBWR1ALDH1A1MAPK1
SCHEMBL14711763 0.76 MAPT (0.63) MAPTMCHR1NPBWR1ALDH1A1MAPK1
SCHEMBL9660476 0.76 MAPT (0.56) MAPTMCHR1NPBWR1ALDH1A1MAPK1
SCHEMBL3552397 0.76 MAPT (0.56) MAPTMCHR1NPBWR1ALDH1A1MAPK1
SCHEMBL3552399 0.76 MAPT (0.56) MAPTMCHR1NPBWR1ALDH1A1MAPK1
SCHEMBL3499945 0.74 CYP1A2 (0.46) MAPTSLC6A3ALDH1A1POLBKMT2A
SCHEMBL28149835 0.73 MAPT (0.44) MAPTMCHR1NPBWR1ALDH1A1MAPK1

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