SCHEMBL14565729

SCHEMBL14565729

O=CNC1CCCN(S(=O)(=O)c2ccccc2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 3/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
DRD2 P14416 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
SCHEMBL14565738 0.84 KMT2A (0.48) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL14565727 0.84 PKM (0.43) PKMALDH1A1MEN1KMT2AHTR6
SCHEMBL14565737 0.82 RAB9A (0.47) KDM4EMEN1KMT2A
SCHEMBL14565743 0.82 MEN1 (0.55) SMN1; SMN2MEN1KMT2ADRD2
SCHEMBL14565734 0.82 CTSK (0.49) PKM
SCHEMBL14565740 0.81 ATM (0.47) PKMALDH1A1GAAKDM4E
SCHEMBL14565744 0.81 PKM (0.49) PKMALDH1A1GAAKDM4EMEN1
SCHEMBL14565739 0.79 GPBAR1 (0.56) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL14565751 0.79 TSHR (0.36) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL14565752 0.78 POLB (0.37) LMNAALDH1A1GAAKDM4ESMN1; SMN2

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
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed