SCHEMBL7084528

SCHEMBL7084528

COCc1c(C)nc(C)c(C(=O)O)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
EIF4E P06730 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6956189 0.85 TDP1 (0.53) TDP1L3MBTL1TSHRALDH1A1EIF4E
SCHEMBL6956134 0.85 TDP1 (0.53) TDP1L3MBTL1TSHRALDH1A1EIF4E
SCHEMBL29383650 0.82 KMT2A (0.49) TDP1L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL6949727 0.82 KMT2A (0.49) TDP1L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL2636596 0.82 KMT2A (0.49) TDP1L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL29684128 0.81 ALDH1A1 (0.44) TDP1L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL744307 0.77 ALDH1A1 (0.48) TDP1TSHRALDH1A1KDM4ELMNA
SCHEMBL29351076 0.77 ALDH1A1 (0.48) TDP1TSHRALDH1A1KDM4ELMNA
SCHEMBL18157025 0.76 KMT2A (0.44) TDP1L3MBTL1TSHRALDH1A1KDM4E
SCHEMBL8412555 0.75 TDP1 (0.44) TDP1L3MBTL1TSHRALDH1A1KDM4E

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
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed