SCHEMBL6981176

SCHEMBL6981176

O=[N+]([O-])c1cccc(B(O)O)c1.OB(O)c1cccc(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
TSHR P16473 5/20 0.50
LMNA P02545 3/20 0.50
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
ELANE P08246 1/20 0.44
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL29758194 0.90 TSHR (0.61) ALDH1A1TDP1TSHRLMNAALOX15
SCHEMBL127723 0.90 TSHR (0.61) ALDH1A1TDP1TSHRLMNAALOX15
Hydrochloric Acid SCHEMBL28382242 0.88 TSHR (0.59) ALDH1A1TDP1TSHRLMNAALOX15
Boric Acid SCHEMBL28213242 0.84 ALDH1A1 (0.85) ALDH1A1TDP1TSHRLMNAALOX15
Phosphoric Acid SCHEMBL28445592 0.83 TSHR (0.53) ALDH1A1TDP1TSHRLMNAALOX15
SCHEMBL6981184 0.83 ALDH1A1 (0.55) ALDH1A1TDP1TSHRLMNAALOX15
SCHEMBL1668771 0.81 TSHR (0.47) ALDH1A1TDP1TSHRLMNAALOX15
Cadaverine Tartrate SCHEMBL28355308 0.81 TP53 (0.49) ALDH1A1TDP1TSHRLMNAALOX15
SCHEMBL249999 0.80 ALDH1A1 (1.00) ALDH1A1TDP1TSHRLMNAALOX15
SCHEMBL11815 0.80 ENPP2 (0.56) ALDH1A1TSHR

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
EP-1244446-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1244446-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2002-10-02 EP disclosed
WO-2001039773-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-07 WO disclosed