SCHEMBL5221765

SCHEMBL5221765

O=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.69
AKR1C4 P17516 1/20 0.67
AKR1C3 P42330 1/20 0.67
AKR1C2 P52895 1/20 0.67
AKR1C1 Q04828 1/20 0.67
RORC P51449 1/20 0.64
WDR5 P61964 1/20 0.60
CTSV O60911 1/20 0.57
CTSL P07711 1/20 0.57
KCNMA1 Q12791 2/20 0.55
ANO1 Q5XXA6 1/20 0.54
ANO2 Q9NQ90 1/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 1/20 0.54
ALOX5 P09917 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL16737210 0.82 CTSV (0.67) AKR1C4AKR1C3AKR1C2AKR1C1RORC
SCHEMBL6811868 0.82 MAPT (0.64) GFERAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1954449 0.82 GFER (0.80) GFERMAPTMEN1KMT2ARAB9A
SCHEMBL1955845 0.81 GFER (0.78) GFERMAPTMEN1KMT2AGAA
SCHEMBL1310079 0.81 GFER (0.78) GFERMAPTMEN1KMT2ARAB9A
SCHEMBL9281809 0.80 GFER (0.76) GFERMAPTMEN1KMT2AGAA
SCHEMBL1307732 0.80 GFER (0.76) GFERAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14413339 0.80 GFER (0.76) GFERMAPTMEN1KMT2ARAB9A
SCHEMBL1308410 0.80 GFER (0.76) GFERAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL16737154 0.80 CTSV (0.63) AKR1C4AKR1C3AKR1C2AKR1C1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989100-A Therapeutic compounds ASTRAZENECA AB (SE) 2007-06-27 CN disclosed
EP-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 WO disclosed