SCHEMBL1382941

SCHEMBL1382941

CC(CC1C(C(N)=O)N(S(=O)(=O)c2cccc3cccnc23)CCN1C(N)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
KCNA5 P22460 1/20 0.42
GFER P55789 2/20 0.41
HPGD P15428 1/20 0.41
HCRTR1 O43613 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL1383365 0.85 GAA (0.53) GAAALOX15ALDH1A1TSHRMAPK1
SCHEMBL1382337 0.79 FABP1 (0.45) ALOX15ALDH1A1TSHRMAPK1GFER
SCHEMBL1382193 0.79 PKM (0.51) GAAALOX15ALDH1A1TSHRMAPK1
SCHEMBL1381205 0.76 ALOX15 (0.43) GAAALOX15ALDH1A1TSHRMAPK1
SCHEMBL1382942 0.75 GAA (0.56) GAAALOX15ALDH1A1TSHRMAPK1
SCHEMBL4208499 0.72 GAA (0.47) GAAALDH1A1TSHRMAPK1GFER
SCHEMBL4033096 0.71 GAA (0.60) GAAALDH1A1TSHRMAPK1GFER
SCHEMBL1383367 0.70 GAA (0.58) GAAALOX15ALDH1A1TSHRMAPK1
SCHEMBL4037678 0.69 GAA (0.46) GAAALDH1A1TSHRMAPK1MAPT
SCHEMBL4037109 0.69 GAA (0.57) GAAALOX15ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 2011-11-30 JP claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO disclosed