SCHEMBL5240376

SCHEMBL5240376

CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1.O=[N+]([O-])c1ccc(F)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.65
LMNA P02545 8/20 0.65
MAPT P10636 10/20 0.63
SMN1; SMN2 Q16637 5/20 0.61
HTT P42858 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL3547962 0.93 ALDH1A1 (0.74) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL3553731 0.86 LMNA (0.69) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL30957484 0.86 LMNA (0.69) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL27927947 0.83 ALDH1A1 (0.76) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL2530427 0.81 ALDH1A1 (0.72) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL2530426 0.81 ALDH1A1 (0.72) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL3542256 0.80 LMNA (0.70) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL899915 0.80 ALDH1A1 (0.74) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL2530564 0.79 ALDH1A1 (1.00) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL13114779 0.77 ALDH1A1 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2HTT

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