SCHEMBL1233362

SCHEMBL1233362

Sc1c[nH]c(-c2ccncc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
GSK3B P49841 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
MAPK13 O15264 3/20 0.37
MAPK12 P53778 3/20 0.37
MAPK11 Q15759 3/20 0.37
MAPK14 Q16539 3/20 0.37
RAF1 P04049 2/20 0.37
MAPK9 P45984 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37

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
SCHEMBL27456927 0.81 MTOR (0.42) MAPTKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL28959148 0.79 MTOR (0.41) MAPTKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11546589 0.78 KDM4E (0.44) MAPTKDM4EALDH1A1MAPK13MAPK12
SCHEMBL7201389 0.78 NISCH (0.46) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL1235742 0.77 CYP2A6 (0.48) LMNAMAPTKDM4EALDH1A1GSK3B
SCHEMBL4788485 0.72 BRAF (0.40) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL67920 0.71 GSK3B (0.57) MAPTKDM4EALDH1A1PKN1PKN2
SCHEMBL11625133 0.71 KIF11 (0.44) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL8327153 0.71 GRIA1 (0.37) LMNAMAPTKDM4EALDH1A1PKN1
SCHEMBL28406044 0.71 GSK3B (0.57) MAPTKDM4EALDH1A1PKN1PKN2

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-2459518-A1 ABSORBENT SOLUTION CONTAINING A DEGRADATION INHIBITOR DERIVED FROM A TRIAZOLE OR FROM A TETRAZOLE AND PROCESS FOR THE ABSORPTION OF ACID COMPOUNDS CONTAINED IN A GASEOUS EFFLUENT IFP Energies nouvelles (FR) 2012-06-06 EP disclosed
WO-2011012777-A1 ABSORBENT SOLUTION CONTAINING A DEGRADATION INHIBITOR DERIVED FROM A TRIAZOLE OR FROM A TETRAZOLE AND PROCESS FOR THE ABSORPTION OF ACID COMPOUNDS CONTAINED IN A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2011-02-03 WO disclosed