SCHEMBL4553190

SCHEMBL4553190

CN(Cc1nnc(NC(=O)c2ccc3c(c2)CCN(C(=O)O)C3C(C)(C)C)s1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
NOD2 Q9HC29 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 2/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
PTGER3 P43115 2/20 0.38
WNT3A P56704 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GBA1 P04062 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4553192 0.87 LMNA (0.43) LMNAMAPK1GLANOD2MEN1
SCHEMBL4555464 0.85 LMNA (0.47) LMNAMAPK1GLANOD2MEN1
SCHEMBL3728403 0.79 LMNA (0.48) LMNAMAPK1GLANOD2MEN1
SCHEMBL3731133 0.76 CYP3A4 (0.47) LMNAMAPK1GLANOD2MEN1
Hydrochloric Acid SCHEMBL3728496 0.75 CYP3A4 (0.47) LMNAMAPK1GLANOD2MEN1
SCHEMBL4555465 0.73 LMNA (0.44) LMNAMAPK1GLANOD2MEN1
SCHEMBL4554910 0.73 HPGD (0.35) LMNAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4422304 0.72 GAA (0.54) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4554891 0.70 FFAR1 (0.44)
SCHEMBL4433371 0.70 PPARA (0.37) LMNANOD2SMN1; SMN2HPGDALDH1A1

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