SCHEMBL8328598

SCHEMBL8328598

O=CC1C[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
DGAT1 O75907 4/20 0.46
NAMPT P43490 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL2969347 0.85 LMNA (0.53) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL13201300 0.85 LMNA (0.53) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL3162410 0.83 LMNA (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL13201342 0.83 MMP2 (0.52) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL13217834 0.78 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8319712 0.76 ATM (0.51) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL2961185 0.76 ATM (0.51) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL3153829 0.73 KDM4E (0.47) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8319435 0.73 MMP2 (0.48) ALDH1A1LMNAHTTCA12CA1
SCHEMBL13218222 0.73 GAA (0.41) L3MBTL1

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
EP-1585728-B1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed