SCHEMBL1383365

SCHEMBL1383365

NC(=O)C1C(C(c2ccccc2)c2ccccc2)N(C(N)=O)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.44
HCRTR1 O43613 2/20 0.43
KMT2A Q03164 1/20 0.43
FABP1 P07148 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1382941 0.85 GAA (0.51) GAAALOX15TSHRMAPK1ALDH1A1
SCHEMBL6189155 0.80 MEN1 (0.50) GAATSHRALDH1A1KMT2AMAPT
SCHEMBL1381205 0.79 ALOX15 (0.43) GAAALOX15TSHRMAPK1ALDH1A1
SCHEMBL1382337 0.76 FABP1 (0.45) ALOX15TSHRMAPK1ALDH1A1GFER
SCHEMBL1382193 0.75 PKM (0.51) GAAALOX15TSHRMAPK1ALDH1A1
SCHEMBL1383367 0.73 GAA (0.58) GAAALOX15TSHRMAPK1ALDH1A1
SCHEMBL1382942 0.71 GAA (0.56) GAAALOX15TSHRMAPK1ALDH1A1
SCHEMBL4033244 0.70 GAA (0.58) GAAALOX15TSHRMAPK1ALDH1A1
SCHEMBL4207423 0.69 GAA (0.45) GAATSHRMAPK1ALDH1A1GFER
SCHEMBL5634710 0.68 TSHR (0.54) GAAALOX15TSHRMAPK1ALDH1A1

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 3 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