SCHEMBL5264677

SCHEMBL5264677

O=C(O)N[C@@]1(c2ccc([N+](=O)[O-])cc2F)CCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
KMT2A Q03164 8/20 0.37
MEN1 O00255 6/20 0.37
LMNA P02545 5/20 0.37
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.35
HIF1A Q16665 1/20 0.35
HSPA9 P38646 1/20 0.35
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5200742 0.89 MAPT (0.37) MAPTKMT2AMEN1LMNAADRA2A
SCHEMBL5204172 0.80 NPSR1 (0.41) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL29993320 0.76 HDAC3 (0.43) ALDH1A1HTTPDE2A
SCHEMBL16515363 0.72 ALDH1A1 (0.39) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL23647373 0.70 HDAC4 (0.44)
Hydrochloric Acid SCHEMBL1514370 0.70 RECQL (0.39) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL5169163 0.70 KMT2A (0.42) MAPTKMT2ALMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1514586 0.69 LMNA (0.40) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL19813471 0.68 PDE2A (0.36) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL20476242 0.68 NPSR1 (0.47) MAPTKMT2AMEN1L3MBTL1ALDH1A1

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