SCHEMBL5678530

SCHEMBL5678530

CCOc1cccc([N+](=O)[O-])c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
LMNA P02545 2/20 0.61
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.57
RECQL P46063 2/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL14601545 0.92 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL5678528 0.89 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL845821 0.87 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL845822 0.87 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL2436211 0.86 ALDH1A1 (0.79) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL30159613 0.86 ALDH1A1 (0.79) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL10507211 0.84 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL10507215 0.84 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL11052582 0.84 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTRECQL
SCHEMBL2088309 0.84 TDP1 (0.71) ALDH1A1KMT2AMAPTRECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474430-B1 BI-FUNCTIONALISED METALLOCENES USE FOR MARKING BIOLOGICAL MOLECULES BIOMERIEUX SA (FR) 2006-01-25 EP disclosed
EP-1474430-A1 BI-FUNCTIONALISED METALLOCENES USE FOR MARKING BIOLOGICAL MOLECULES BIOMERIEUX (FR) 2004-11-10 EP disclosed
WO-2003068787-A1 BI-FUNCTIONALISED METALLOCENES USE FOR MARKING BIOLOGICAL MOLECULES BIOMERIEUX (FR) 2003-08-21 WO disclosed
EP-1001996-A1 COMPLEX CHEMICAL COMPOUND, SYNTHESIS AND VARIOUS APPLICATIONS OF SAID COMPOUND BIO MERIEUX (FR) 2000-05-24 EP disclosed
WO-1999007749-A1 COMPLEX CHEMICAL COMPOUND, SYNTHESIS AND VARIOUS APPLICATIONS OF SAID COMPOUND BIO MERIEUX (FR) 1999-02-18 WO disclosed