SCHEMBL5204166

SCHEMBL5204166

O=C(O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
POLB P06746 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 5/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
ADRB1 P08588 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46

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
SCHEMBL1749545 1.00 MAPT (0.59) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL1749546 1.00 MAPT (0.59) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21526534 0.92 MAPT (0.55) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21526519 0.92 MAPT (0.55) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL16569971 0.92 MAPT (0.55) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL3635114 0.92 MAPT (0.65) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL1749577 0.89 MAPT (0.53) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL3551387 0.88 MAPT (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL1749644 0.88 MAPT (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL1749646 0.88 MAPT (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1

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