SCHEMBL4555464

SCHEMBL4555464

CC(C)(C)C1c2ccc(C(=O)Nc3nnc(COc4ccccc4Cl)s3)cc2CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MAPK1 P28482 2/20 0.47
GLA P06280 1/20 0.47
NOD2 Q9HC29 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
WNT3A P56704 5/20 0.42
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGAT1 O75907 1/20 0.40
SCD O00767 1/20 0.40

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
SCHEMBL4555465 0.87 LMNA (0.44) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL4553190 0.85 LMNA (0.46) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL4554891 0.85 FFAR1 (0.44)
SCHEMBL4554910 0.84 HPGD (0.35) LMNASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL3738041 0.80 LMNA (0.50) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3727140 0.79 LMNA (0.49) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3727808 0.79 LMNA (0.48) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3728273 0.78 LMNA (0.51) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3729035 0.77 LMNA (0.48) LMNAMAPK1GLANOD2SMN1; SMN2
SCHEMBL3729966 0.77 LMNA (0.50) LMNAMAPK1GLANOD2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO disclosed