SCHEMBL4422304

SCHEMBL4422304

CC(C)(C)C1c2ccc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)cc2CCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MAPT P10636 3/20 0.47
FFAR2 O15552 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABL1 P00519 1/20 0.45
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCD O00767 5/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
ITK Q08881 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
SCHEMBL4422309 0.86 GAA (0.52) GAAMAPTFFAR2MEN1KMT2A
SCHEMBL4433371 0.82 PPARA (0.37) GAAMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL13573311 0.77 GAA (0.53) GAAMAPTFFAR2MEN1KMT2A
SCHEMBL4555464 0.74 LMNA (0.47) MEN1KMT2ALMNASMN1; SMN2SCD
SCHEMBL4284053 0.73 GAA (0.57) GAAMAPTFFAR2MEN1KMT2A
SCHEMBL3664740 0.72 SMN1; SMN2 (0.54) MAPTMEN1KMT2ATP53LMNA
Hydrochloric Acid SCHEMBL4276562 0.72 GAA (0.56) GAAMAPTFFAR2MEN1KMT2A
SCHEMBL4553190 0.72 LMNA (0.46) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3666730 0.72 KDM1A (0.43)
SCHEMBL31237167 0.71 NPC1 (0.63) GAAMAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150196-A1 N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2009-12-17 WO disclosed