SCHEMBL8097957

SCHEMBL8097957

CC(C)CC(C(=O)NNc1ccccc1)S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.50
PKM P14618 1/20 0.50
ALOX5 P09917 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
LARS1 Q9P2J5 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PTGS2 P35354 1/20 0.40
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8107465 0.83 ANPEP (0.47) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL8113450 0.80 GAA (0.66) GAASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL6570519 0.73 GAA (1.00) GAASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL10135121 0.71 GAA (0.68) GAASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL27822637 0.71 GAA (0.72) GAASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL8622747 0.71 GAA (0.72) GAASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL6634562 0.69 ALOX5 (0.61) GAASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL10630543 0.69 MEN1 (0.55) GAASMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL10434862 0.68 GAA (0.68) GAASMN1; SMN2LMNAALDH1A1PKM
SCHEMBL10117735 0.68 GAA (0.68) GAASMN1; SMN2LMNAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP claimed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO claimed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed