SCHEMBL4035097

SCHEMBL4035097

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)C(OC(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.47
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 4/20 0.44
GFER P55789 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43

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
Hydrochloric Acid SCHEMBL4036663 0.99 ALOX15 (0.46) ALOX15ALDH1A1GAAMAPK1TSHR
SCHEMBL1380179 0.88 GAA (0.51) ALOX15ALDH1A1GAAMAPK1TSHR
SCHEMBL13886846 0.88 GAA (0.51) ALOX15ALDH1A1GAAMAPK1TSHR
Hydrochloric Acid SCHEMBL4035609 0.87 GAA (0.50) ALOX15ALDH1A1GAAMAPK1TSHR
Hydrochloric Acid SCHEMBL4034494 0.87 GAA (0.50) ALOX15ALDH1A1GAAMAPK1TSHR
SCHEMBL4038034 0.80 MMP1 (0.53) ALDH1A1
SCHEMBL4037035 0.79 ALDH1A1 (0.48) ALOX15ALDH1A1GAAMAPK1TSHR
SCHEMBL4036441 0.79 ALDH1A1 (0.48) ALOX15ALDH1A1GAAMAPK1TSHR
SCHEMBL14499802 0.78 ALDH1A1 (0.51) ALDH1A1GAATSHRGFERMAPT
SCHEMBL4037270 0.78 ALDH1A1 (0.51) ALDH1A1GAATSHRGFERMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed