SCHEMBL4728329

SCHEMBL4728329

COc1cccc([N+](=O)[O-])c1NC(=O)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
AR P10275 1/20 0.41
G6PD P11413 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL5115395 0.83 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL3449044 0.83 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL5115398 0.83 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL22499474 0.81 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL5232201 0.79 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL18781780 0.78 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL15767609 0.78 MEN1 (0.54) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL737656 0.78 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL12730443 0.77 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL14540662 0.77 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1MAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008032027-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-20 WO disclosed