SCHEMBL3626068

SCHEMBL3626068

C=CCc1cccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)NC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 4/20 0.43
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL1735652 0.86 MAPT (0.50) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL1735650 0.86 MAPT (0.50) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL3633776 0.85 LMNA (0.48) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL27791609 0.79 MAPT (0.42) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL1735708 0.78 MAPT (0.49) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL1735710 0.78 MAPT (0.49) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL1735379 0.78 USP2 (0.49) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL1735375 0.78 USP2 (0.49) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL27770391 0.77 KMT2A (0.44) USP2MAPTSMN1; SMN2CYP2C9HPGD
SCHEMBL3623767 0.77 TSHR (0.44) USP2MAPTSMN1; SMN2CYP2C9HPGD

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-2142533-A1 IMIDAZOLIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008119657-A1 IMIDAZOLIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO disclosed