SCHEMBL2911533

SCHEMBL2911533

CCOc1ccc(N)c([N+](=O)[O-])c1.CCOc1ccc(N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
ALDH1A1 P00352 5/20 0.68
LMNA P02545 1/20 0.68
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 1/20 0.51
PTGS2 P35354 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.47
APOBEC3G Q9HC16 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
SCHEMBL1277890 0.94 MAPT (0.77) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7037581 0.88 MAPT (0.68) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28002244 0.85 MAPT (0.65) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9651479 0.82 MAPT (0.68) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1277976 0.82 MAPT (0.78) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2774063 0.81 MAPT (1.00) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11634125 0.81 MAPT (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11420051 0.81 MAPT (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11209297 0.81 MAPT (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11548169 0.80 MAPT (0.60) MAPTALDH1A1LMNAMEN1KMT2A

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