SCHEMBL4034808

SCHEMBL4034808

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)[C@H](C(=O)NCCO)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM5 P08912 1/20 0.43
USP2 O75604 2/20 0.42
CHRM1 P11229 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
HSD11B1 P28845 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4041974 1.00 GAA (0.51) GAAALDH1A1HTTLMNAGLA
SCHEMBL4041721 1.00 GAA (0.51) GAAALDH1A1HTTLMNAGLA
SCHEMBL4037945 0.89 ALDH1A1 (0.47) GAAALDH1A1HTTLMNAGLA
SCHEMBL4040978 0.89 ALDH1A1 (0.47) GAAALDH1A1HTTLMNAGLA
SCHEMBL4035266 0.89 ALDH1A1 (0.47) GAAALDH1A1HTTLMNAGLA
SCHEMBL4033038 0.89 ALDH1A1 (0.47) GAAALDH1A1HTTLMNAGLA
SCHEMBL4035166 0.88 ALDH1A1 (0.51) GAAALDH1A1HTTLMNAGLA
SCHEMBL4034771 0.87 ALDH1A1 (0.53) ALDH1A1HTTLMNAGLAPKM
SCHEMBL4036566 0.86 ALDH1A1 (0.62) GAAALDH1A1HTTLMNAGLA
SCHEMBL1381140 0.86 GAA (0.50) GAAALDH1A1HTTLMNAGLA

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