SCHEMBL5264680

SCHEMBL5264680

O=C(O)NC1CCN(c2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
DPP4 P27487 1/20 0.42

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
SCHEMBL5264676 1.00 ALDH1A1 (0.54) ALDH1A1MAPTLMNAKMT2ATHRB
SCHEMBL3552499 0.90 MAPT (0.54) ALDH1A1MAPTLMNAKMT2ATHRB
SCHEMBL5200745 0.90 MAPT (0.54) ALDH1A1MAPTLMNAKMT2ATHRB
SCHEMBL7815260 0.88 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKMT2ATHRB
SCHEMBL1027561 0.86 TDP1 (0.48) ALDH1A1MAPTLMNAKMT2ATDP1
SCHEMBL4367577 0.86 TDP1 (0.48) ALDH1A1MAPTLMNAKMT2ATDP1
SCHEMBL4287745 0.84 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKMT2ATHRB
SCHEMBL4287750 0.84 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKMT2ATHRB
SCHEMBL5232224 0.84 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKMT2ATHRB
SCHEMBL7852751 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKMT2ATHRB

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