SCHEMBL5240348

SCHEMBL5240348

O=[N+]([O-])c1ccc(F)c(F)c1.O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
SLC6A9 P48067 4/20 0.57
SLC6A5 Q9Y345 3/20 0.57
MAPT P10636 5/20 0.57
THRB P10828 1/20 0.56
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.53
IDE P14735 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL210786 0.96 ALDH1A1 (0.69) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL29723200 0.96 ALDH1A1 (0.69) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL4379208 0.90 ALDH1A1 (0.63) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL5236073 0.88 ALDH1A1 (0.60) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL30560071 0.87 ALDH1A1 (0.62) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL521191 0.87 ALDH1A1 (0.62) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL5697459 0.86 ALDH1A1 (0.68) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL14464189 0.85 ALDH1A1 (0.79) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL24267643 0.83 ALDH1A1 (0.57) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9
SCHEMBL4921368 0.82 ALDH1A1 (0.75) ALDH1A1KMT2ALMNASMN1; SMN2SLC6A9

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