SCHEMBL2910448

SCHEMBL2910448

Nc1ccc(Oc2cccnc2)cc1.O=[N+]([O-])c1ccc(Cl)cc1.O=[N+]([O-])c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 6/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDE7A Q13946 2/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSPB1 P04792 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL1277439 0.87 LMNA (0.74) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL11552476 0.79 TDP1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL30354928 0.79 TDP1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL77208 0.79 TDP1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL554299 0.78 ALDH1A1 (0.75) ALDH1A1HTTMAPTRAB9ANPSR1
SCHEMBL7173350 0.78 HSPB1 (0.66) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL4477206 0.76 ALDH1A1 (1.00) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL1486129 0.76 ALDH1A1 (1.00) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL4033756 0.73 MEN1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL30879375 0.73 MEN1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 WO disclosed