SCHEMBL5322258

SCHEMBL5322258

CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
MAPT P10636 4/20 0.62
HPGD P15428 2/20 0.62
TP53 P04637 1/20 0.60
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 4/20 0.58
WDR5 P61964 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL3562032 0.88 SMN1; SMN2 (0.71) LMNASMN1; SMN2MAPTTP53CA12
SCHEMBL5318770 0.86 SMN1; SMN2 (0.68) LMNASMN1; SMN2MAPTTP53CA12
SCHEMBL5318686 0.86 HDAC3 (0.75) LMNASMN1; SMN2HDAC1
SCHEMBL5318027 0.85 SMN1; SMN2 (0.67) LMNASMN1; SMN2MAPTTP53CA12
SCHEMBL7170776 0.85 LMNA (0.74) LMNASMN1; SMN2MAPTTP53MEN1
SCHEMBL3554413 0.84 SMN1; SMN2 (0.65) LMNASMN1; SMN2MAPTTP53CA12
SCHEMBL27790788 0.83 LMNA (0.71) LMNASMN1; SMN2MAPTTP53CA12
SCHEMBL9323512 0.83 SMN1; SMN2 (0.64) LMNASMN1; SMN2MAPTTP53MEN1
SCHEMBL7175640 0.83 LMNA (0.70) LMNASMN1; SMN2MAPTTP53MEN1
SCHEMBL96248 0.82 LMNA (0.70) LMNASMN1; SMN2MAPTTP53CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007067993-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
WO-2007067993-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed