SCHEMBL2911535

SCHEMBL2911535

CCOc1ccc(NNc2ccc(OCC)cc2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
RAB9A P51151 10/20 0.58
NPC1 O15118 9/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
MAPK1 P28482 4/20 0.58
POLB P06746 1/20 0.58
PKM P14618 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
CYP2C19 P33261 1/20 0.51

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
SCHEMBL7037583 0.87 SMN1; SMN2 (0.67) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL3419672 0.80 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL11355262 0.80 MAPT (0.63) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL11295618 0.78 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL15201427 0.77 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL6677275 0.77 MAPT (0.73) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL27183258 0.77 MAPT (0.55) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL4931104 0.76 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL8325875 0.74 NQO1 (0.70) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL3721960 0.74 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2MAPK1

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